[(3R,4S)-1-[(4-Fluorophenyl)carbamoyl]-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-[(4-Fluorophenyl)carbamoyl]-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid

ID: Reference9630

Other Names: 4-Piperidineacetic acid, 1-[[(4-fluorophenyl)amino]carbonyl]-3-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336773

Formula: C25H32FN5O3

Spectral Data

[(3R,4S)-1-[(4-Fluorophenyl)carbamoyl]-3-{2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3380
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 12:43:42 PM
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Identificators

InChI InChI=1S/C25H32FN5O3/c26-21-4-6-22(7-5-21)28-25(34)31-12-9-19(17-24(32)33)20(18-31)8-11-29-13-15-30(16-14-29)23-3-1-2-10-27-23/h1-7,10,19-20H,8-9,11-18H2,(H,28,34)(H,32,33)/t19-,20-/m0/s1
InChI Key SGASWCJIYQPMCV-PMACEKPBSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)F
CAS
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Other Names 4-Piperidineacetic acid, 1-[[(4-fluorophenyl)amino]carbonyl]-3-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336773

In Other Databases

PubChem 28960083
ChemSpider 22806404