1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H30N2O2 — CID 24817270

IUPAC1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-16-7-5-6-10-18(16)13-22-21(25)19-11-12-20(24)23(15-19)14-17-8-3-2-4-9-17/h5-7,10,17,19H,2-4,8-9,11-15H2,1H3,(H,22,25)
InChIKeyCKDLPSBZKDILSB-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.43
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817270) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817270
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-16-7-5-6-10-18(16)13-22-21(25)19-11-12-20(24)23(15-19)14-17-8-3-2-4-9-17/h5-7,10,17,19H,2-4,8-9,11-15H2,1H3,(H,22,25)
InChIKeyCKDLPSBZKDILSB-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817270) is 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CKDLPSBZKDILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-7-5-6-10-18(16)13-22-21(25)19-11-12-20(24)23(15-19)14-17-8-3-2-4-9-17/h5-7,10,17,19H,2-4,8-9,11-15H2,1H3,(H,22,25).
What are the key properties of 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).