N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C21H27N3O2 — CID 109150120

IUPACN-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)C1
InChIInChI=1S/C21H27N3O2/c1-15-3-2-12-24(14-15)21(26)18-8-6-17(7-9-18)20(25)23-19-10-4-16(13-22)5-11-19/h4-5,10-11,15,17-18H,2-3,6-9,12,14H2,1H3,(H,23,25)
InChIKeyGYSMKEISASMAHO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.56
Rot. Bonds3

About N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109150120) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109150120
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)C1
InChIInChI=1S/C21H27N3O2/c1-15-3-2-12-24(14-15)21(26)18-8-6-17(7-9-18)20(25)23-19-10-4-16(13-22)5-11-19/h4-5,10-11,15,17-18H,2-3,6-9,12,14H2,1H3,(H,23,25)
InChIKeyGYSMKEISASMAHO-UHFFFAOYSA-N
XLogP3.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-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

N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
3-fluoro-4-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]benzonitrile
CID 94064168
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109150120) is N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)C1.
What is the InChIKey of N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is GYSMKEISASMAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-3-2-12-24(14-15)21(26)18-8-6-17(7-9-18)20(25)23-19-10-4-16(13-22)5-11-19/h4-5,10-11,15,17-18H,2-3,6-9,12,14H2,1H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).