6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one

C17H17Cl2N3O3 — CID 154841006

IUPAC6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)ccc1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-21-16(23)7-6-15(20-21)17(24)22-8-2-3-12(10-22)25-11-4-5-13(18)14(19)9-11/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyMEZJJNQAJJKING-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.77
Rot. Bonds3

About 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 154841006) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID154841006
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)ccc1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-21-16(23)7-6-15(20-21)17(24)22-8-2-3-12(10-22)25-11-4-5-13(18)14(19)9-11/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyMEZJJNQAJJKING-UHFFFAOYSA-N
XLogP2.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126852374
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125135306
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
2-amino-1-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796457
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815621

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 154841006) is 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)ccc1=O.
What is the InChIKey of 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is MEZJJNQAJJKING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-21-16(23)7-6-15(20-21)17(24)22-8-2-3-12(10-22)25-11-4-5-13(18)14(19)9-11/h4-7,9,12H,2-3,8,10H2,1H3.
What are the key properties of 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 382.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 154841006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).