1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one

C12H20N4O2 — CID 80580908

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-5-15-8-9-16(12(15)18)10-11(17)14-6-3-13-4-7-14/h8-9,13H,2-7,10H2,1H3
InChIKeyCMGWTMIWNRDIOA-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.51
Rot. Bonds4

About 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one

1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one (PubChem CID 80580908) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one
PubChem CID80580908
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-5-15-8-9-16(12(15)18)10-11(17)14-6-3-13-4-7-14/h8-9,13H,2-7,10H2,1H3
InChIKeyCMGWTMIWNRDIOA-UHFFFAOYSA-N
XLogP-0.51
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one (CID 80580908) is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one is CCCn1ccn(CC(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one?
The InChIKey is CMGWTMIWNRDIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-5-15-8-9-16(12(15)18)10-11(17)14-6-3-13-4-7-14/h8-9,13H,2-7,10H2,1H3.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one?
1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one has a molecular weight of 252.32 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80580908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).