(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

C21H26N2O2 — CID 95402837

IUPAC(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C21H26N2O2/c24-20(25)21(11-4-8-18-6-2-1-3-7-18)12-5-15-23(17-21)16-19-9-13-22-14-10-19/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-17H2,(H,24,25)/t21-/m1/s1
InChIKeyJAYZPFZBNBLMRV-OAQYLSRUSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds7

About (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 95402837) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
PubChem CID95402837
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C21H26N2O2/c24-20(25)21(11-4-8-18-6-2-1-3-7-18)12-5-15-23(17-21)16-19-9-13-22-14-10-19/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-17H2,(H,24,25)/t21-/m1/s1
InChIKeyJAYZPFZBNBLMRV-OAQYLSRUSA-N
XLogP3.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
(3R,4S)-4-hydroxy-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 155912272
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 56865026
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
CID 95804763
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 68587067
ethyl 3-(3-phenylpropyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 45242661
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95502115

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (CID 95402837) is (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is O=C(O)[C@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1.
What is the InChIKey of (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is JAYZPFZBNBLMRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(25)21(11-4-8-18-6-2-1-3-7-18)12-5-15-23(17-21)16-19-9-13-22-14-10-19/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-17H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95402837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).