3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide

C25H26N2O — CID 46883474

IUPAC3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H26N2O/c1-25(22-11-6-3-7-12-22)17-8-18-27(19-25)24(28)26-23-15-13-21(14-16-23)20-9-4-2-5-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,26,28)
InChIKeySHOBDCUSXYTMQM-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.94
Rot. Bonds3

About 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide

3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 46883474) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID46883474
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H26N2O/c1-25(22-11-6-3-7-12-22)17-8-18-27(19-25)24(28)26-23-15-13-21(14-16-23)20-9-4-2-5-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,26,28)
InChIKeySHOBDCUSXYTMQM-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide (CID 46883474) is 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is SHOBDCUSXYTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-25(22-11-6-3-7-12-22)17-8-18-27(19-25)24(28)26-23-15-13-21(14-16-23)20-9-4-2-5-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,26,28).
What are the key properties of 3-methyl-3-phenyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
3-methyl-3-phenyl-N-(4-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-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46883474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).