N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C21H29ClN2O2 — CID 109146300

IUPACN-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)N3CCC(C)CC3)CC2)cc1Cl
InChIInChI=1S/C21H29ClN2O2/c1-14-9-11-24(12-10-14)21(26)17-6-4-16(5-7-17)20(25)23-18-8-3-15(2)19(22)13-18/h3,8,13-14,16-17H,4-7,9-12H2,1-2H3,(H,23,25)
InChIKeyZHSVWCDVULRETR-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.65
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109146300) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109146300
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)N3CCC(C)CC3)CC2)cc1Cl
InChIInChI=1S/C21H29ClN2O2/c1-14-9-11-24(12-10-14)21(26)17-6-4-16(5-7-17)20(25)23-18-8-3-15(2)19(22)13-18/h3,8,13-14,16-17H,4-7,9-12H2,1-2H3,(H,23,25)
InChIKeyZHSVWCDVULRETR-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-4-(4-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-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109146300) is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)N3CCC(C)CC3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is ZHSVWCDVULRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-14-9-11-24(12-10-14)21(26)17-6-4-16(5-7-17)20(25)23-18-8-3-15(2)19(22)13-18/h3,8,13-14,16-17H,4-7,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).