3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride

C22H24ClN3O3 — CID 120741124

IUPAC3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1.Cl
InChIInChI=1S/C22H23N3O3.ClH/c1-2-15-5-7-16(8-6-15)19-14-23-11-12-25(19)22(27)17-9-10-18(24-21(17)26)20-4-3-13-28-20;/h3-10,13,19,23H,2,11-12,14H2,1H3,(H,24,26);1H
InChIKeyNDGYYSYZSJUWES-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.41
Rot. Bonds4

About 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride (PubChem CID 120741124) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
PubChem CID120741124
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1.Cl
InChIInChI=1S/C22H23N3O3.ClH/c1-2-15-5-7-16(8-6-15)19-14-23-11-12-25(19)22(27)17-9-10-18(24-21(17)26)20-4-3-13-28-20;/h3-10,13,19,23H,2,11-12,14H2,1H3,(H,24,26);1H
InChIKeyNDGYYSYZSJUWES-UHFFFAOYSA-N
XLogP3.41
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120741559
1,3-benzodioxol-4-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120740907
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95337509
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740500

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride (CID 120741124) is 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1.Cl.
What is the InChIKey of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is NDGYYSYZSJUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.ClH/c1-2-15-5-7-16(8-6-15)19-14-23-11-12-25(19)22(27)17-9-10-18(24-21(17)26)20-4-3-13-28-20;/h3-10,13,19,23H,2,11-12,14H2,1H3,(H,24,26);1H.
What are the key properties of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 120741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).