3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one

C22H24ClN3O4S — CID 110657373

IUPAC3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O4S/c23-19-7-3-2-6-18(19)20-21(27)24-12-15-26(20)22(28)16-8-10-17(11-9-16)31(29,30)25-13-4-1-5-14-25/h2-3,6-11,20H,1,4-5,12-15H2,(H,24,27)
InChIKeyXXTAZOBQJVYMMU-UHFFFAOYSA-N
MW461.97 g/mol
LogP2.83
Rot. Bonds4

About 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one

3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one (PubChem CID 110657373) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
PubChem CID110657373
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O4S/c23-19-7-3-2-6-18(19)20-21(27)24-12-15-26(20)22(28)16-8-10-17(11-9-16)31(29,30)25-13-4-1-5-14-25/h2-3,6-11,20H,1,4-5,12-15H2,(H,24,27)
InChIKeyXXTAZOBQJVYMMU-UHFFFAOYSA-N
XLogP2.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one (CID 110657373) is 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one?
The InChIKey is XXTAZOBQJVYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c23-19-7-3-2-6-18(19)20-21(27)24-12-15-26(20)22(28)16-8-10-17(11-9-16)31(29,30)25-13-4-1-5-14-25/h2-3,6-11,20H,1,4-5,12-15H2,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one has a molecular weight of 461.97 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one is sourced from PubChem (CID 110657373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).