4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C21H32N2O — CID 20930657

IUPAC4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-16-3-7-18(8-4-16)15-19-11-13-23(14-12-19)21(24)22-20-9-5-17(2)6-10-20/h5-6,9-10,16,18-19H,3-4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyBSXVEXLHCMPMRM-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.46
Rot. Bonds3

About 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 20930657) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID20930657
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-16-3-7-18(8-4-16)15-19-11-13-23(14-12-19)21(24)22-20-9-5-17(2)6-10-20/h5-6,9-10,16,18-19H,3-4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyBSXVEXLHCMPMRM-UHFFFAOYSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 20930657) is 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is BSXVEXLHCMPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16-3-7-18(8-4-16)15-19-11-13-23(14-12-19)21(24)22-20-9-5-17(2)6-10-20/h5-6,9-10,16,18-19H,3-4,7-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 328.50 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20930657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).