4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one

C17H20ClN3O2 — CID 133271354

IUPAC4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
SMILESCCOC1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-14-8-10-20(11-9-14)15-12-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyNLKSQOJWHSPTQG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one

4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one (PubChem CID 133271354) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
PubChem CID133271354
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
SMILESCCOC1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-14-8-10-20(11-9-14)15-12-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyNLKSQOJWHSPTQG-UHFFFAOYSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133453106
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
CID 47983005
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133338550
4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one (CID 133271354) is 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one is CCOC1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one?
The InChIKey is NLKSQOJWHSPTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-23-14-8-10-20(11-9-14)15-12-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one?
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one has a molecular weight of 333.82 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 133271354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).