4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one

C19H21N3O3 — CID 146131241

IUPAC4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H21N3O3/c1-2-16-12-15(13-17(23)20-16)19(25)22-10-8-21(9-11-22)18(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,20,23)
InChIKeyTXWBCEBGGJQOMC-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one

4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one (PubChem CID 146131241) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
PubChem CID146131241
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H21N3O3/c1-2-16-12-15(13-17(23)20-16)19(25)22-10-8-21(9-11-22)18(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,20,23)
InChIKeyTXWBCEBGGJQOMC-UHFFFAOYSA-N
XLogP1.54
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 74232175
4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 72890012
1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512917
2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118781576
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 155947310
N-[[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 139000175
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one (CID 146131241) is 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one is CCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one?
The InChIKey is TXWBCEBGGJQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-16-12-15(13-17(23)20-16)19(25)22-10-8-21(9-11-22)18(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,20,23).
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one?
4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 146131241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).