6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

C19H23N3O2 — CID 7663181

IUPAC6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-15-6-8-16(9-7-15)17-10-11-18(23)22(20-17)14-19(24)21-12-4-3-5-13-21/h6-11H,2-5,12-14H2,1H3
InChIKeyDJNXAQOHSCRONJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.49
Rot. Bonds4

About 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7663181) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7663181
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-15-6-8-16(9-7-15)17-10-11-18(23)22(20-17)14-19(24)21-12-4-3-5-13-21/h6-11H,2-5,12-14H2,1H3
InChIKeyDJNXAQOHSCRONJ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3(2H)-one
CID 5057198
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
6-phenyl-2-(4-vinylbenzyl)pyridazin-3(2H)-one
CID 23608995
6-[4-(4-Cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
2-Methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
CID 44539766
2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44539870
2-Methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
CID 44539969
2-methyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44539973
2-methyl-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472493
Isamfazone
CID 68753

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (CID 7663181) is 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is DJNXAQOHSCRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-15-6-8-16(9-7-15)17-10-11-18(23)22(20-17)14-19(24)21-12-4-3-5-13-21/h6-11H,2-5,12-14H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 325.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7663181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).