1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one

C22H24ClN3O4S — CID 31199964

IUPAC1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESO=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O4S/c23-19-5-1-2-6-20(19)31(29,30)25-15-13-24(14-16-25)22(28)17-8-10-18(11-9-17)26-12-4-3-7-21(26)27/h1-2,5-6,8-11H,3-4,7,12-16H2
InChIKeyOKQKBFKDNRYAPI-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.00
Rot. Bonds4

About 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one

1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one (PubChem CID 31199964) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
PubChem CID31199964
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESO=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O4S/c23-19-5-1-2-6-20(19)31(29,30)25-15-13-24(14-16-25)22(28)17-8-10-18(11-9-17)26-12-4-3-7-21(26)27/h1-2,5-6,8-11H,3-4,7,12-16H2
InChIKeyOKQKBFKDNRYAPI-UHFFFAOYSA-N
XLogP3.00
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 33049487
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615899
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 55757296
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
1-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 26011013

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one (CID 31199964) is 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one is O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The InChIKey is OKQKBFKDNRYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c23-19-5-1-2-6-20(19)31(29,30)25-15-13-24(14-16-25)22(28)17-8-10-18(11-9-17)26-12-4-3-7-21(26)27/h1-2,5-6,8-11H,3-4,7,12-16H2.
What are the key properties of 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one has a molecular weight of 461.97 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 31199964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).