1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one

C14H23N3O — CID 116563565

IUPAC1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
SMILESCCn1ccnc1CC(=O)CCC1CCCCN1
InChIInChI=1S/C14H23N3O/c1-2-17-10-9-16-14(17)11-13(18)7-6-12-5-3-4-8-15-12/h9-10,12,15H,2-8,11H2,1H3
InChIKeyWGKHYKIBXCMFGT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.94
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one

1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one (PubChem CID 116563565) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
PubChem CID116563565
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
SMILESCCn1ccnc1CC(=O)CCC1CCCCN1
InChIInChI=1S/C14H23N3O/c1-2-17-10-9-16-14(17)11-13(18)7-6-12-5-3-4-8-15-12/h9-10,12,15H,2-8,11H2,1H3
InChIKeyWGKHYKIBXCMFGT-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
N-cyclopropyl-1-ethyl-N-(piperidin-2-ylmethyl)imidazol-2-amine
CID 106640976
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one (CID 116563565) is 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one is CCn1ccnc1CC(=O)CCC1CCCCN1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one?
The InChIKey is WGKHYKIBXCMFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17-10-9-16-14(17)11-13(18)7-6-12-5-3-4-8-15-12/h9-10,12,15H,2-8,11H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one?
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).