4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C18H25N3O4S — CID 110346217

IUPAC4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O4S/c1-14(2)21-13-15(12-17(21)22)18(23)19-8-10-20(11-9-19)26(24,25)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJEFSPJTYZLTMEF-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.78
Rot. Bonds4

About 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 110346217) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID110346217
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O4S/c1-14(2)21-13-15(12-17(21)22)18(23)19-8-10-20(11-9-19)26(24,25)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJEFSPJTYZLTMEF-UHFFFAOYSA-N
XLogP0.78
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108568605
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 110346217) is 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is JEFSPJTYZLTMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-14(2)21-13-15(12-17(21)22)18(23)19-8-10-20(11-9-19)26(24,25)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 379.48 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 110346217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).