1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

C18H25N3O4S — CID 5033864

IUPAC1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O4S/c19-17(22)14-8-11-20(12-9-14)18(23)15-5-4-10-21(13-15)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H2,19,22)
InChIKeyOOAQJEXPZGKLAG-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.81
Rot. Bonds4

About 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 5033864) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID5033864
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O4S/c19-17(22)14-8-11-20(12-9-14)18(23)15-5-4-10-21(13-15)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H2,19,22)
InChIKeyOOAQJEXPZGKLAG-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-3-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-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 42910389
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959
[1-(benzenesulfonyl)piperidin-3-yl]-(4-prop-2-ynoxypiperidin-1-yl)methanone
CID 136524854
1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
CID 126397233
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
[1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 119034210
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[(3S)-1-[1-(benzenesulfonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552892

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (CID 5033864) is 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is OOAQJEXPZGKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c19-17(22)14-8-11-20(12-9-14)18(23)15-5-4-10-21(13-15)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H2,19,22).
What are the key properties of 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
1-[1-(benzenesulfonyl)piperidine-3-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-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 5033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).