1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide

C24H31N3O3S — CID 3152697

IUPAC1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22-13-15-26(16-14-22)19-20-7-3-1-4-8-20)21-11-17-27(18-12-21)31(29,30)23-9-5-2-6-10-23/h1-10,21-22H,11-19H2,(H,25,28)
InChIKeyBZIIERPRJXVDEK-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.87
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 3152697) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID3152697
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22-13-15-26(16-14-22)19-20-7-3-1-4-8-20)21-11-17-27(18-12-21)31(29,30)23-9-5-2-6-10-23/h1-10,21-22H,11-19H2,(H,25,28)
InChIKeyBZIIERPRJXVDEK-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide (CID 3152697) is 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is BZIIERPRJXVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-24(25-22-13-15-26(16-14-22)19-20-7-3-1-4-8-20)21-11-17-27(18-12-21)31(29,30)23-9-5-2-6-10-23/h1-10,21-22H,11-19H2,(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3152697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).