3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one

C8H11N3O2 — CID 103125553

IUPAC3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
SMILESO=C1NCCCC1n1cc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c12-7-6(2-1-3-9-7)11-5-4-10-8(11)13/h4-6H,1-3H2,(H,9,12)(H,10,13)
InChIKeyZFOPVFQHQLGYDJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.37
Rot. Bonds1

About 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one

3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one (PubChem CID 103125553) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
PubChem CID103125553
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
SMILESO=C1NCCCC1n1cc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c12-7-6(2-1-3-9-7)11-5-4-10-8(11)13/h4-6H,1-3H2,(H,9,12)(H,10,13)
InChIKeyZFOPVFQHQLGYDJ-UHFFFAOYSA-N
XLogP-0.37
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-{methyl[2-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)ethyl]amino}ethyl)piperidin-2-one
CID 91835727
N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
CID 59958588
(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one
CID 59958609
5-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
CID 103125639
3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
CID 103125772
3-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
CID 138466934
3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
CID 138466937
3-[5-(aminomethyl)-2-oxo-1H-imidazol-3-yl]piperidine-2,6-dione
CID 138466940
5-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one
CID 138467690
5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one
CID 138467694
3-(3,5-Dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione
CID 138496402
3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one
CID 141313282

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one (CID 103125553) is 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one is O=C1NCCCC1n1cc[nH]c1=O.
What is the InChIKey of 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The InChIKey is ZFOPVFQHQLGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-6(2-1-3-9-7)11-5-4-10-8(11)13/h4-6H,1-3H2,(H,9,12)(H,10,13).
What are the key properties of 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one?
3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one has a molecular weight of 181.19 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one is sourced from PubChem (CID 103125553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).