1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide

C18H25N3O4S — CID 1084370

IUPAC1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3O4S/c19-17(22)14-6-10-20(11-7-14)18(23)15-8-12-21(13-9-15)26(24,25)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H2,19,22)
InChIKeyOADVOMIZYVYNON-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.81
Rot. Bonds4

About 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1084370) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID1084370
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3O4S/c19-17(22)14-6-10-20(11-7-14)18(23)15-8-12-21(13-9-15)26(24,25)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H2,19,22)
InChIKeyOADVOMIZYVYNON-UHFFFAOYSA-N
XLogP0.81
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-[3-[4-(2-Methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 1287856
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626
N-(2-phenylethyl)-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327814
N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide
CID 1472595
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
N-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide (CID 1084370) is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is OADVOMIZYVYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c19-17(22)14-6-10-20(11-7-14)18(23)15-8-12-21(13-9-15)26(24,25)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H2,19,22).
What are the key properties of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1084370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).