4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one

C11H19N3O2 — CID 134062732

IUPAC4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
SMILESCC(C(=O)N1CCCC1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N3O2/c1-9(11(16)13-5-2-3-6-13)14-7-4-12-10(15)8-14/h9H,2-8H2,1H3,(H,12,15)
InChIKeySWANINQIFGTBLZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.57
Rot. Bonds2

About 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one

4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one (PubChem CID 134062732) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
PubChem CID134062732
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
SMILESCC(C(=O)N1CCCC1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N3O2/c1-9(11(16)13-5-2-3-6-13)14-7-4-12-10(15)8-14/h9H,2-8H2,1H3,(H,12,15)
InChIKeySWANINQIFGTBLZ-UHFFFAOYSA-N
XLogP-0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
CID 134038447
3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid
CID 43097633
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
3-(1-oxo-1-piperidin-1-ylpropan-2-yl)imidazolidine-2,4-dione
CID 113218073
4-(2-methylsulfanylpropanoyl)piperazin-2-one
CID 126998947
4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperazin-2-one
CID 8549432
4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-2-one
CID 65366728
3-methyl-2-(3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 65366616

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one?
The IUPAC name of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one (CID 134062732) is 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one?
The canonical SMILES for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one is CC(C(=O)N1CCCC1)N1CCNC(=O)C1.
What is the InChIKey of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one?
The InChIKey is SWANINQIFGTBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(11(16)13-5-2-3-6-13)14-7-4-12-10(15)8-14/h9H,2-8H2,1H3,(H,12,15).
What are the key properties of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one?
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one is sourced from PubChem (CID 134062732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).