3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C17H18ClN3O2 — CID 110661857

IUPAC3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-4-12(5-7-13)11-14-3-1-2-10-21(14)17(23)15-8-9-16(22)20-19-15/h4-9,14H,1-3,10-11H2,(H,20,22)
InChIKeyZJKWGITXZRIARI-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.66
Rot. Bonds3

About 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110661857) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110661857
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-4-12(5-7-13)11-14-3-1-2-10-21(14)17(23)15-8-9-16(22)20-19-15/h4-9,14H,1-3,10-11H2,(H,20,22)
InChIKeyZJKWGITXZRIARI-UHFFFAOYSA-N
XLogP2.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
N-[2-(cycloheptylamino)ethyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 119620890
3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 136528364
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)-1H-pyridazin-6-one
CID 114040889
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
3-[3-(morpholin-4-ylmethyl)-1,4-thiazepane-4-carbonyl]-1H-pyridazin-6-one
CID 90569112

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 110661857) is 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ZJKWGITXZRIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-6-4-12(5-7-13)11-14-3-1-2-10-21(14)17(23)15-8-9-16(22)20-19-15/h4-9,14H,1-3,10-11H2,(H,20,22).
What are the key properties of 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 331.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110661857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).