5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one

C19H23N3O2 — CID 120741559

IUPAC5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2c[nH]c(C)cc2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-3-14-4-6-15(7-5-14)17-12-20-8-9-22(17)19(24)16-11-21-13(2)10-18(16)23/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3,(H,21,23)
InChIKeyFIDULMMJZLLLRY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.03
Rot. Bonds3

About 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one

5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 120741559) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID120741559
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2c[nH]c(C)cc2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-3-14-4-6-15(7-5-14)17-12-20-8-9-22(17)19(24)16-11-21-13(2)10-18(16)23/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3,(H,21,23)
InChIKeyFIDULMMJZLLLRY-UHFFFAOYSA-N
XLogP2.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
CID 103807377
[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 120740593
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120740755
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 120741559) is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one is CCc1ccc(C2CNCCN2C(=O)c2c[nH]c(C)cc2=O)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is FIDULMMJZLLLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-14-4-6-15(7-5-14)17-12-20-8-9-22(17)19(24)16-11-21-13(2)10-18(16)23/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 120741559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).