3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one

C10H15N3O2 — CID 141313282

IUPAC3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one
SMILESCC(=O)N1CCCC(n2cc[nH]c2=O)C1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-5-2-3-9(7-12)13-6-4-11-10(13)15/h4,6,9H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyXNBZPOIVIRXPOA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.36
Rot. Bonds1

About 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one

3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one (PubChem CID 141313282) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one
PubChem CID141313282
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one
SMILESCC(=O)N1CCCC(n2cc[nH]c2=O)C1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-5-2-3-9(7-12)13-6-4-11-10(13)15/h4,6,9H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyXNBZPOIVIRXPOA-UHFFFAOYSA-N
XLogP0.36
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
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
1-{2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}-1,3-dihydro-2H-imidazol-2-one
CID 56866786
1-Methyl-3-piperidin-4-ylimidazol-2-one
CID 68296722
3-(2-piperidin-1-ylethyl)-1H-imidazol-2-one
CID 103125341
5-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
CID 103125639
1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione
CID 122640360
4-(2-oxo-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 143265153
1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one
CID 163502913
1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride
CID 175591845
1-Ethyl-3-(piperidin-2-ylmethyl)imidazol-2-one
CID 80580951
1-(Piperidin-2-ylmethyl)-3-propylimidazol-2-one
CID 80580952
1-(2-Oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one
CID 80581096

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one (CID 141313282) is 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one is CC(=O)N1CCCC(n2cc[nH]c2=O)C1.
What is the InChIKey of 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one?
The InChIKey is XNBZPOIVIRXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)12-5-2-3-9(7-12)13-6-4-11-10(13)15/h4,6,9H,2-3,5,7H2,1H3,(H,11,15).
What are the key properties of 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one?
3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-3-yl)-1H-imidazol-2-one is sourced from PubChem (CID 141313282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).