4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide

C25H26N2O — CID 108867010

IUPAC4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H26N2O/c28-25(26-24-13-11-23(12-14-24)22-9-5-2-6-10-22)27-17-15-21(16-18-27)19-20-7-3-1-4-8-20/h1-14,21H,15-19H2,(H,26,28)
InChIKeyDUCDSRQTVAKHAM-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.84
Rot. Bonds4

About 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide

4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 108867010) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID108867010
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H26N2O/c28-25(26-24-13-11-23(12-14-24)22-9-5-2-6-10-22)27-17-15-21(16-18-27)19-20-7-3-1-4-8-20/h1-14,21H,15-19H2,(H,26,28)
InChIKeyDUCDSRQTVAKHAM-UHFFFAOYSA-N
XLogP5.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide (CID 108867010) is 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is DUCDSRQTVAKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-25(26-24-13-11-23(12-14-24)22-9-5-2-6-10-22)27-17-15-21(16-18-27)19-20-7-3-1-4-8-20/h1-14,21H,15-19H2,(H,26,28).
What are the key properties of 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide?
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 108867010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).