1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide

C20H25N3O3S — CID 3683098

IUPAC1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)18-12-10-17(11-13-18)21-20(24)16-7-6-14-23(15-16)27(25,26)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyBJEVIAXUQQSMMG-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.79
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 3683098) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
PubChem CID3683098
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)18-12-10-17(11-13-18)21-20(24)16-7-6-14-23(15-16)27(25,26)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyBJEVIAXUQQSMMG-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide (CID 3683098) is 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide is CN(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is BJEVIAXUQQSMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)18-12-10-17(11-13-18)21-20(24)16-7-6-14-23(15-16)27(25,26)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 3683098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).