1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide

C27H35ClN2O — CID 134802219

IUPAC1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C27H35ClN2O/c1-20-11-12-23(17-26(20)28)25-10-6-5-9-24(25)19-30-15-13-22(14-16-30)27(31)29-18-21-7-3-2-4-8-21/h5-6,9-12,17,21-22H,2-4,7-8,13-16,18-19H2,1H3,(H,29,31)
InChIKeyUCZHQLVOJIPSDR-UHFFFAOYSA-N
MW439.04 g/mol
LogP6.22
Rot. Bonds6

About 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide

1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (PubChem CID 134802219) has the molecular formula C27H35ClN2O and a molecular weight of 439.04 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
PubChem CID134802219
Molecular FormulaC27H35ClN2O
Molecular Weight439.04 g/mol
Exact Mass438.24
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C27H35ClN2O/c1-20-11-12-23(17-26(20)28)25-10-6-5-9-24(25)19-30-15-13-22(14-16-30)27(31)29-18-21-7-3-2-4-8-21/h5-6,9-12,17,21-22H,2-4,7-8,13-16,18-19H2,1H3,(H,29,31)
InChIKeyUCZHQLVOJIPSDR-UHFFFAOYSA-N
XLogP6.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.04
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (CID 134802219) is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is Cc1ccc(-c2ccccc2CN2CCC(C(=O)NCC3CCCCC3)CC2)cc1Cl.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The InChIKey is UCZHQLVOJIPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O/c1-20-11-12-23(17-26(20)28)25-10-6-5-9-24(25)19-30-15-13-22(14-16-30)27(31)29-18-21-7-3-2-4-8-21/h5-6,9-12,17,21-22H,2-4,7-8,13-16,18-19H2,1H3,(H,29,31).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide has a molecular weight of 439.04 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134802219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).