4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one

C19H27N3O4S — CID 110346284

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4S/c1-3-8-21-14-16(13-18(21)23)19(24)20-9-11-22(12-10-20)27(25,26)17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3
InChIKeyTUNKZJGCICRJPH-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.09
Rot. Bonds5

About 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one

4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one (PubChem CID 110346284) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
PubChem CID110346284
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4S/c1-3-8-21-14-16(13-18(21)23)19(24)20-9-11-22(12-10-20)27(25,26)17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3
InChIKeyTUNKZJGCICRJPH-UHFFFAOYSA-N
XLogP1.09
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346269
(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
(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42582568
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108568605
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one (CID 110346284) is 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1=O.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The InChIKey is TUNKZJGCICRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-3-8-21-14-16(13-18(21)23)19(24)20-9-11-22(12-10-20)27(25,26)17-6-4-15(2)5-7-17/h4-7,16H,3,8-14H2,1-2H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one has a molecular weight of 393.51 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 110346284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).