1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide

C25H26N2O3S — CID 2965918

IUPAC1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3S/c28-24(26-20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)16-18-27(19-17-25)31(29,30)23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28)
InChIKeyZOOSKMZFJZCSAR-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.73
Rot. Bonds6

About 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide (PubChem CID 2965918) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide
PubChem CID2965918
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3S/c28-24(26-20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)16-18-27(19-17-25)31(29,30)23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28)
InChIKeyZOOSKMZFJZCSAR-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide (CID 2965918) is 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is ZOOSKMZFJZCSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-24(26-20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)16-18-27(19-17-25)31(29,30)23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 2965918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).