4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one

C9H15N3O2 — CID 94915607

IUPAC4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCNC2)CCN1
InChIInChI=1S/C9H15N3O2/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7/h7,10H,1-6H2,(H,11,13)/t7-/m0/s1
InChIKeyASGISJPJHMQFQS-ZETCQYMHSA-N
MW197.24 g/mol
LogP-1.45
Rot. Bonds1

About 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one

4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one (PubChem CID 94915607) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
PubChem CID94915607
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCNC2)CCN1
InChIInChI=1S/C9H15N3O2/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7/h7,10H,1-6H2,(H,11,13)/t7-/m0/s1
InChIKeyASGISJPJHMQFQS-ZETCQYMHSA-N
XLogP-1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
CID 130677789
3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549664
4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
CID 35795581
4-(oxetane-2-carbonyl)piperazin-2-one
CID 126989346
(3aS,6aR)-5-[(3R)-pyrrolidine-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129354111
4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
CID 71785545
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one (CID 94915607) is 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)[C@H]2CCNC2)CCN1.
What is the InChIKey of 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one?
The InChIKey is ASGISJPJHMQFQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-6-12(4-3-11-8)9(14)7-1-2-10-5-7/h7,10H,1-6H2,(H,11,13)/t7-/m0/s1.
What are the key properties of 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one?
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 94915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).