1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide

C22H28N2O — CID 145353936

IUPAC1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C22H28N2O/c1-17(23-22(25)21-12-14-24(2)15-13-21)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,23,25)
InChIKeyUXHVXKBKLHWBHT-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.74
Rot. Bonds5

About 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide

1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 145353936) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
PubChem CID145353936
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C22H28N2O/c1-17(23-22(25)21-12-14-24(2)15-13-21)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,23,25)
InChIKeyUXHVXKBKLHWBHT-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 90429490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide (CID 145353936) is 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide is CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is UXHVXKBKLHWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(23-22(25)21-12-14-24(2)15-13-21)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,23,25).
What are the key properties of 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide?
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 145353936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).