1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C17H24N2O4S — CID 51251435

IUPAC1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24N2O4S/c1-4-24(22,23)15-8-6-5-7-14(15)17(21)19-11-9-18(10-12-19)16(20)13(2)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyFPMABUGWLHCDFS-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.42
Rot. Bonds4

About 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 51251435) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID51251435
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24N2O4S/c1-4-24(22,23)15-8-6-5-7-14(15)17(21)19-11-9-18(10-12-19)16(20)13(2)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyFPMABUGWLHCDFS-UHFFFAOYSA-N
XLogP1.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(2-ethylsulfonylbenzoyl)piperazine-1-carboxylate
CID 38152114
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
4-(2-ethylsulfonylbenzoyl)piperazine-2,6-dione
CID 66084710
[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55747004
(2-ethylsulfonylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124591302
[4-(2,3-dihydro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone
CID 170402706
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
(2-ethylsulfonylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 136578600
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 51251435) is 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is FPMABUGWLHCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-24(22,23)15-8-6-5-7-14(15)17(21)19-11-9-18(10-12-19)16(20)13(2)3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 352.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 51251435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).