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

C18H25N3O4S — CID 110346283

IUPAC4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O4S/c1-2-8-20-14-15(13-17(20)22)18(23)19-9-11-21(12-10-19)26(24,25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyBHAMFBXUNHQVFV-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.78
Rot. Bonds5

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

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (PubChem CID 110346283) 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-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
PubChem CID110346283
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O4S/c1-2-8-20-14-15(13-17(20)22)18(23)19-9-11-21(12-10-19)26(24,25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyBHAMFBXUNHQVFV-UHFFFAOYSA-N
XLogP0.78
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
1-(2-phenylethyl)-4-[4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 55344220
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42653481
1-benzyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42906906

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (CID 110346283) is 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The InChIKey is BHAMFBXUNHQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-2-8-20-14-15(13-17(20)22)18(23)19-9-11-21(12-10-19)26(24,25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one has a molecular weight of 379.48 g/mol, XLogP of 0.78, 5 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-propylpyrrolidin-2-one is sourced from PubChem (CID 110346283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).