N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide

C20H21N3O — CID 72916114

IUPACN-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
SMILESN#CC1CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)C1
InChIInChI=1S/C20H21N3O/c21-14-18-9-5-11-23(15-18)20(24)22-19-10-4-8-17(13-19)12-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,15H2,(H,22,24)
InChIKeyNGYLHTDPFFTUAH-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.04
Rot. Bonds3

About N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide

N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide (PubChem CID 72916114) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
PubChem CID72916114
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
SMILESN#CC1CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)C1
InChIInChI=1S/C20H21N3O/c21-14-18-9-5-11-23(15-18)20(24)22-19-10-4-8-17(13-19)12-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,15H2,(H,22,24)
InChIKeyNGYLHTDPFFTUAH-UHFFFAOYSA-N
XLogP4.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide 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

(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide
CID 97435742
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 126454471
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide
CID 97283744
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide?
The IUPAC name of N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide (CID 72916114) is N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide is N#CC1CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)C1.
What is the InChIKey of N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide?
The InChIKey is NGYLHTDPFFTUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-14-18-9-5-11-23(15-18)20(24)22-19-10-4-8-17(13-19)12-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,15H2,(H,22,24).
What are the key properties of N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide?
N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 72916114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).