5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one

C18H21N3O2 — CID 91945531

IUPAC5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
SMILESCCN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H21N3O2/c1-2-19-10-12-20(13-11-19)18(23)15-8-9-17(22)21(14-15)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3
InChIKeyQRXIDJBVOBAICB-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.62
Rot. Bonds3

About 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one

5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one (PubChem CID 91945531) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
PubChem CID91945531
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
SMILESCCN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H21N3O2/c1-2-19-10-12-20(13-11-19)18(23)15-8-9-17(22)21(14-15)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3
InChIKeyQRXIDJBVOBAICB-UHFFFAOYSA-N
XLogP1.62
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 91954866
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 97465061
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954933
ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 91954923
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
2-(4-ethylpiperazine-1-carbonyl)-1-phenylpyrrole-3-carbonitrile
CID 42749062
1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 91955061
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
5-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 91946434
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one (CID 91945531) is 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one is CCN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one?
The InChIKey is QRXIDJBVOBAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-19-10-12-20(13-11-19)18(23)15-8-9-17(22)21(14-15)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one?
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 91945531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).