N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide

C14H17N3O — CID 106738623

IUPACN-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(C#N)cc2)CCN1
InChIInChI=1S/C14H17N3O/c1-10-8-12(6-7-16-10)14(18)17-13-4-2-11(9-15)3-5-13/h2-5,10,12,16H,6-8H2,1H3,(H,17,18)
InChIKeyNMKPRWCCXPWUEX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds2

About N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide

N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106738623) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106738623
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(C#N)cc2)CCN1
InChIInChI=1S/C14H17N3O/c1-10-8-12(6-7-16-10)14(18)17-13-4-2-11(9-15)3-5-13/h2-5,10,12,16H,6-8H2,1H3,(H,17,18)
InChIKeyNMKPRWCCXPWUEX-UHFFFAOYSA-N
XLogP1.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-2-methylpiperidine-4-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

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide (CID 106738623) is N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2ccc(C#N)cc2)CCN1.
What is the InChIKey of N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is NMKPRWCCXPWUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-12(6-7-16-10)14(18)17-13-4-2-11(9-15)3-5-13/h2-5,10,12,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide?
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).