1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one

C10H16N4O2 — CID 80581115

IUPAC1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
SMILESCn1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C10H16N4O2/c1-12-6-7-14(10(12)16)8-9(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3
InChIKeyPMZRCKUNKUOJTM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.38
Rot. Bonds2

About 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one

1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one (PubChem CID 80581115) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
PubChem CID80581115
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
SMILESCn1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C10H16N4O2/c1-12-6-7-14(10(12)16)8-9(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3
InChIKeyPMZRCKUNKUOJTM-UHFFFAOYSA-N
XLogP-1.38
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
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1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
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4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
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3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
CID 94758661
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
1-piperazin-1-yl-2-pyrazol-1-ylethanone
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2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one (CID 80581115) is 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one is Cn1ccn(CC(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one?
The InChIKey is PMZRCKUNKUOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-6-7-14(10(12)16)8-9(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one?
1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one has a molecular weight of 224.26 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one is sourced from PubChem (CID 80581115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).