4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one

C18H24N2O4S — CID 30887318

IUPAC4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCNC(=O)C3)CCCC2)cc1C
InChIInChI=1S/C18H24N2O4S/c1-13-5-6-15(11-14(13)2)25(23,24)18(7-3-4-8-18)17(22)20-10-9-19-16(21)12-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyLLDPYFXURHEBCS-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.35
Rot. Bonds3

About 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one

4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one (PubChem CID 30887318) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one
PubChem CID30887318
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCNC(=O)C3)CCCC2)cc1C
InChIInChI=1S/C18H24N2O4S/c1-13-5-6-15(11-14(13)2)25(23,24)18(7-3-4-8-18)17(22)20-10-9-19-16(21)12-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyLLDPYFXURHEBCS-UHFFFAOYSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
[1-[1-(3,4-dimethylphenyl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 95799605
1-(3,4-dimethylphenyl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione
CID 31097688
1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
methyl 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylate
CID 56689977
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
CID 56807459
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
4-(4-methylpiperidine-4-carbonyl)piperazin-2-one
CID 63121367
1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
CID 119349604
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 37352937

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one (CID 30887318) is 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCNC(=O)C3)CCCC2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one?
The InChIKey is LLDPYFXURHEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13-5-6-15(11-14(13)2)25(23,24)18(7-3-4-8-18)17(22)20-10-9-19-16(21)12-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one?
4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one has a molecular weight of 364.47 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one is sourced from PubChem (CID 30887318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).