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

C23H28N2O3S — CID 2221770

IUPAC1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3S/c26-22(24-20-11-7-8-12-20)23(19-9-3-1-4-10-19)15-17-25(18-16-23)29(27,28)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,24,26)
InChIKeyZHOYXWBUWSBQQK-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.47
Rot. Bonds5

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

1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide (PubChem CID 2221770) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide
PubChem CID2221770
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3S/c26-22(24-20-11-7-8-12-20)23(19-9-3-1-4-10-19)15-17-25(18-16-23)29(27,28)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,24,26)
InChIKeyZHOYXWBUWSBQQK-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide (CID 2221770) is 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is ZHOYXWBUWSBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-22(24-20-11-7-8-12-20)23(19-9-3-1-4-10-19)15-17-25(18-16-23)29(27,28)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cyclopentyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 2221770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).