1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C15H25N3O4S — CID 110346153

IUPAC1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-2-9-23(21,22)17-7-5-16(6-8-17)15(20)12-10-14(19)18(11-12)13-3-4-13/h12-13H,2-11H2,1H3
InChIKeyWPCFFVZECBIPSU-UHFFFAOYSA-N
MW343.45 g/mol
LogP-0.12
Rot. Bonds5

About 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110346153) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110346153
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-2-9-23(21,22)17-7-5-16(6-8-17)15(20)12-10-14(19)18(11-12)13-3-4-13/h12-13H,2-11H2,1H3
InChIKeyWPCFFVZECBIPSU-UHFFFAOYSA-N
XLogP-0.12
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 110346149
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 131952328
1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108568533
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110346153) is 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WPCFFVZECBIPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-2-9-23(21,22)17-7-5-16(6-8-17)15(20)12-10-14(19)18(11-12)13-3-4-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 343.45 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110346153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).