1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride

C16H16Cl3N3O4 — CID 67072615

IUPAC1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H15Cl2N3O4.ClH/c17-11-2-1-9(7-12(11)18)21-14(22)8-13(15(20-21)16(23)24)25-10-3-5-19-6-4-10;/h1-2,7-8,10,19H,3-6H2,(H,23,24);1H
InChIKeyWUMJVCKGSQNRHH-UHFFFAOYSA-N
MW420.68 g/mol
LogP2.79
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride

1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride (PubChem CID 67072615) has the molecular formula C16H16Cl3N3O4 and a molecular weight of 420.68 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride
PubChem CID67072615
Molecular FormulaC16H16Cl3N3O4
Molecular Weight420.68 g/mol
Exact Mass419.02
IUPAC Name1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H15Cl2N3O4.ClH/c17-11-2-1-9(7-12(11)18)21-14(22)8-13(15(20-21)16(23)24)25-10-3-5-19-6-4-10;/h1-2,7-8,10,19H,3-6H2,(H,23,24);1H
InChIKeyWUMJVCKGSQNRHH-UHFFFAOYSA-N
XLogP2.79
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67446536
tert-butyl 4-[3-cyano-1-(3,4-dichlorophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
CID 44621657
1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67447026
1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67447366
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
1-(3,4-dichlorophenyl)-N-methyl-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119441403
5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(3,4-dichlorophenyl)-6-(methyliminomethyl)pyridazin-3-one
CID 91388652
6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one
CID 59564224
1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119386103
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
CID 20735197

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride (CID 67072615) is 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride?
The InChIKey is WUMJVCKGSQNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4.ClH/c17-11-2-1-9(7-12(11)18)21-14(22)8-13(15(20-21)16(23)24)25-10-3-5-19-6-4-10;/h1-2,7-8,10,19H,3-6H2,(H,23,24);1H.
What are the key properties of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride?
1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 420.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67072615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).