3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide

C25H26N2O — CID 44555474

IUPAC3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C25H26N2O/c1-25(22-13-6-3-7-14-22)16-9-17-27(19-25)24(28)26-23-15-8-12-21(18-23)20-10-4-2-5-11-20/h2-8,10-15,18H,9,16-17,19H2,1H3,(H,26,28)
InChIKeyXACXPRAUSRXTEC-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.94
Rot. Bonds3

About 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide

3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide (PubChem CID 44555474) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
PubChem CID44555474
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C25H26N2O/c1-25(22-13-6-3-7-14-22)16-9-17-27(19-25)24(28)26-23-15-8-12-21(18-23)20-10-4-2-5-11-20/h2-8,10-15,18H,9,16-17,19H2,1H3,(H,26,28)
InChIKeyXACXPRAUSRXTEC-UHFFFAOYSA-N
XLogP5.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
CID 107394432
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 72878185
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643842
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide (CID 44555474) is 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is XACXPRAUSRXTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-25(22-13-6-3-7-14-22)16-9-17-27(19-25)24(28)26-23-15-8-12-21(18-23)20-10-4-2-5-11-20/h2-8,10-15,18H,9,16-17,19H2,1H3,(H,26,28).
What are the key properties of 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide?
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44555474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).