3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one

C13H23N3O2 — CID 110282733

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
SMILESCCCN1CCNC(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-2-6-16-9-5-14-11(13(16)18)10-12(17)15-7-3-4-8-15/h11,14H,2-10H2,1H3
InChIKeyGZOOWPWUGCSCSK-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds4

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one (PubChem CID 110282733) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
PubChem CID110282733
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
SMILESCCCN1CCNC(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-2-6-16-9-5-14-11(13(16)18)10-12(17)15-7-3-4-8-15/h11,14H,2-10H2,1H3
InChIKeyGZOOWPWUGCSCSK-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one (CID 110282733) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one is CCCN1CCNC(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one?
The InChIKey is GZOOWPWUGCSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-6-16-9-5-14-11(13(16)18)10-12(17)15-7-3-4-8-15/h11,14H,2-10H2,1H3.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one is sourced from PubChem (CID 110282733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).