N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C24H32N2O — CID 94013963

IUPACN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H32N2O/c1-17-5-8-21(9-6-17)16-26-13-11-22(12-14-26)24(27)25-20(4)23-10-7-18(2)19(3)15-23/h5-10,15,20,22H,11-14,16H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyMAIRXFWYQHPQOP-FQEVSTJZSA-N
MW364.53 g/mol
LogP4.70
Rot. Bonds5

About N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94013963) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID94013963
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H32N2O/c1-17-5-8-21(9-6-17)16-26-13-11-22(12-14-26)24(27)25-20(4)23-10-7-18(2)19(3)15-23/h5-10,15,20,22H,11-14,16H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyMAIRXFWYQHPQOP-FQEVSTJZSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46766659
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(4-methylphenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013637
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
1-[(2,6-dichlorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 94024123
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 94013963) is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MAIRXFWYQHPQOP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O/c1-17-5-8-21(9-6-17)16-26-13-11-22(12-14-26)24(27)25-20(4)23-10-7-18(2)19(3)15-23/h5-10,15,20,22H,11-14,16H2,1-4H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94013963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).