1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide

C24H32N2O — CID 94024759

IUPAC1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-4-23(21-10-8-18(2)9-11-21)25-24(27)22-12-14-26(15-13-22)17-20-7-5-6-19(3)16-20/h5-11,16,22-23H,4,12-15,17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyVMJVPSFFSMJPQT-HSZRJFAPSA-N
MW364.53 g/mol
LogP4.78
Rot. Bonds6

About 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide

1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 94024759) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID94024759
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-4-23(21-10-8-18(2)9-11-21)25-24(27)22-12-14-26(15-13-22)17-20-7-5-6-19(3)16-20/h5-11,16,22-23H,4,12-15,17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyVMJVPSFFSMJPQT-HSZRJFAPSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 133230460
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 45010994
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide (CID 94024759) is 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is VMJVPSFFSMJPQT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N2O/c1-4-23(21-10-8-18(2)9-11-21)25-24(27)22-12-14-26(15-13-22)17-20-7-5-6-19(3)16-20/h5-11,16,22-23H,4,12-15,17H2,1-3H3,(H,25,27)/t23-/m1/s1.
What are the key properties of 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 94024759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).