4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one

C12H21N3O2 — CID 63102108

IUPAC4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H21N3O2/c1-10-8-12(17)15(9-10)5-2-11(16)14-6-3-13-4-7-14/h10,13H,2-9H2,1H3
InChIKeyDSHIHWKRLODNSZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.32
Rot. Bonds3

About 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one

4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one (PubChem CID 63102108) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
PubChem CID63102108
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H21N3O2/c1-10-8-12(17)15(9-10)5-2-11(16)14-6-3-13-4-7-14/h10,13H,2-9H2,1H3
InChIKeyDSHIHWKRLODNSZ-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926521
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
CID 64693847
1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
CID 62542610
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one (CID 63102108) is 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one is CC1CC(=O)N(CCC(=O)N2CCNCC2)C1.
What is the InChIKey of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one?
The InChIKey is DSHIHWKRLODNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-8-12(17)15(9-10)5-2-11(16)14-6-3-13-4-7-14/h10,13H,2-9H2,1H3.
What are the key properties of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one?
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 63102108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).