2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one

C18H22ClN3O2 — CID 3832897

IUPAC2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCCC1CCCCN1C(=O)C1=NN(c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C18H22ClN3O2/c1-2-14-5-3-4-12-21(14)18(24)16-10-11-17(23)22(20-16)15-8-6-13(19)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyKKUVRXWSEUBJKB-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one

2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 3832897) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID3832897
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCCC1CCCCN1C(=O)C1=NN(c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C18H22ClN3O2/c1-2-14-5-3-4-12-21(14)18(24)16-10-11-17(23)22(20-16)15-8-6-13(19)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyKKUVRXWSEUBJKB-UHFFFAOYSA-N
XLogP3.61
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
2-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95347326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 3832897) is 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one is CCC1CCCCN1C(=O)C1=NN(c2ccc(Cl)cc2)C(=O)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is KKUVRXWSEUBJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-14-5-3-4-12-21(14)18(24)16-10-11-17(23)22(20-16)15-8-6-13(19)7-9-15/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 347.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3832897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).