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

C18H25N3O4S — CID 42910389

IUPAC1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O4S/c19-17(22)15-5-4-10-20(13-15)18(23)14-8-11-21(12-9-14)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H2,19,22)
InChIKeyRBBJNIOVVQREBP-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.81
Rot. Bonds4

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

1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide (PubChem CID 42910389) 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-3-carboxamide.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
PubChem CID42910389
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O4S/c19-17(22)15-5-4-10-20(13-15)18(23)14-8-11-21(12-9-14)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H2,19,22)
InChIKeyRBBJNIOVVQREBP-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

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Related Compounds

1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(benzenesulfonyl)piperidin-4-yl]methanone
CID 2315531
[(3S)-1-[1-(benzenesulfonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552892
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9087013
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 120816101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide (CID 42910389) is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is RBBJNIOVVQREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c19-17(22)15-5-4-10-20(13-15)18(23)14-8-11-21(12-9-14)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-4-carbonyl]piperidine-3-carboxamide?
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 42910389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).