N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C24H32N2O — CID 94013959

IUPACN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C
InChIInChI=1S/C24H32N2O/c1-17-9-10-22(15-19(17)3)20(4)25-24(27)21-11-13-26(14-12-21)16-23-8-6-5-7-18(23)2/h5-10,15,20-21H,11-14,16H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyFVLUFAZHHVJJMJ-FQEVSTJZSA-N
MW364.53 g/mol
LogP4.70
Rot. Bonds5

About N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94013959) 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-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID94013959
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C
InChIInChI=1S/C24H32N2O/c1-17-9-10-22(15-19(17)3)20(4)25-24(27)21-11-13-26(14-12-21)16-23-8-6-5-7-18(23)2/h5-10,15,20-21H,11-14,16H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyFVLUFAZHHVJJMJ-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

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
1-[(2-methylphenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013633
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-[(2-methylphenyl)methyl]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 46766024
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 94013959) is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C.
What is the InChIKey of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FVLUFAZHHVJJMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O/c1-17-9-10-22(15-19(17)3)20(4)25-24(27)21-11-13-26(14-12-21)16-23-8-6-5-7-18(23)2/h5-10,15,20-21H,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-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-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-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94013959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).