1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone

C19H23N3O2 — CID 72932090

IUPAC1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H23N3O2/c1-3-21-12-9-20-18(21)15-7-10-22(11-8-15)19(24)17-6-4-5-16(13-17)14(2)23/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3
InChIKeyGOAOCVHACCZDBR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds4

About 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone

1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 72932090) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
PubChem CID72932090
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H23N3O2/c1-3-21-12-9-20-18(21)15-7-10-22(11-8-15)19(24)17-6-4-5-16(13-17)14(2)23/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3
InChIKeyGOAOCVHACCZDBR-UHFFFAOYSA-N
XLogP3.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 72897232
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
(3-fluorophenyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70736916
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 72935518
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 3867153

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone (CID 72932090) is 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone is CCn1ccnc1C1CCN(C(=O)c2cccc(C(C)=O)c2)CC1.
What is the InChIKey of 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is GOAOCVHACCZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-21-12-9-20-18(21)15-7-10-22(11-8-15)19(24)17-6-4-5-16(13-17)14(2)23/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone?
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 72932090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).