N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C25H34N2O — CID 94014092

IUPACN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)16-20(23)4)26-25(28)22-12-14-27(15-13-22)17-21-9-6-18(2)7-10-21/h6-11,16,22,24H,5,12-15,17H2,1-4H3,(H,26,28)/t24-/m1/s1
InChIKeyREDKZASEHMCGJW-XMMPIXPASA-N
MW378.56 g/mol
LogP5.09
Rot. Bonds6

About N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94014092) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID94014092
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)16-20(23)4)26-25(28)22-12-14-27(15-13-22)17-21-9-6-18(2)7-10-21/h6-11,16,22,24H,5,12-15,17H2,1-4H3,(H,26,28)/t24-/m1/s1
InChIKeyREDKZASEHMCGJW-XMMPIXPASA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 94014092) is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is REDKZASEHMCGJW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)16-20(23)4)26-25(28)22-12-14-27(15-13-22)17-21-9-6-18(2)7-10-21/h6-11,16,22,24H,5,12-15,17H2,1-4H3,(H,26,28)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94014092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).