4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one

C22H22ClN3O2 — CID 46529673

IUPAC4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(C(O)c3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-20-19(15-24-26(22(20)28)18-9-5-2-6-10-18)25-13-11-17(12-14-25)21(27)16-7-3-1-4-8-16/h1-10,15,17,21,27H,11-14H2
InChIKeyPNVHCVJCYBXVEX-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 46529673) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
PubChem CID46529673
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(C(O)c3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-20-19(15-24-26(22(20)28)18-9-5-2-6-10-18)25-13-11-17(12-14-25)21(27)16-7-3-1-4-8-16/h1-10,15,17,21,27H,11-14H2
InChIKeyPNVHCVJCYBXVEX-UHFFFAOYSA-N
XLogP3.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 55361610
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387328
4-chloro-5-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133395840
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 119270199
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356433
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one (CID 46529673) is 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCC(C(O)c3ccccc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is PNVHCVJCYBXVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-20-19(15-24-26(22(20)28)18-9-5-2-6-10-18)25-13-11-17(12-14-25)21(27)16-7-3-1-4-8-16/h1-10,15,17,21,27H,11-14H2.
What are the key properties of 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 395.89 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 46529673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).