1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C23H27ClN4O4S — CID 55812737

IUPAC1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C23H27ClN4O4S/c24-19-8-9-21(25-15-19)26-22(29)18-5-4-12-27(16-18)23(30)17-10-13-28(14-11-17)33(31,32)20-6-2-1-3-7-20/h1-3,6-9,15,17-18H,4-5,10-14,16H2,(H,25,26,29)
InChIKeyYZMYPCZRFIYPID-UHFFFAOYSA-N
MW491.01 g/mol
LogP3.01
Rot. Bonds5

About 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55812737) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55812737
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C23H27ClN4O4S/c24-19-8-9-21(25-15-19)26-22(29)18-5-4-12-27(16-18)23(30)17-10-13-28(14-11-17)33(31,32)20-6-2-1-3-7-20/h1-3,6-9,15,17-18H,4-5,10-14,16H2,(H,25,26,29)
InChIKeyYZMYPCZRFIYPID-UHFFFAOYSA-N
XLogP3.01
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 42910389
N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028314
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 53074795
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
CID 56505966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55812737) is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YZMYPCZRFIYPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c24-19-8-9-21(25-15-19)26-22(29)18-5-4-12-27(16-18)23(30)17-10-13-28(14-11-17)33(31,32)20-6-2-1-3-7-20/h1-3,6-9,15,17-18H,4-5,10-14,16H2,(H,25,26,29).
What are the key properties of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55812737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).