3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

C18H20ClN3O3 — CID 70708975

IUPAC3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESO=C(CCc1ccc(=O)[nH]n1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O3/c19-15-3-1-2-4-16(15)25-14-9-11-22(12-10-14)18(24)8-6-13-5-7-17(23)21-20-13/h1-5,7,14H,6,8-12H2,(H,21,23)
InChIKeyWXFMMJPNUYLSSS-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.43
Rot. Bonds5

About 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (PubChem CID 70708975) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
PubChem CID70708975
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESO=C(CCc1ccc(=O)[nH]n1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O3/c19-15-3-1-2-4-16(15)25-14-9-11-22(12-10-14)18(24)8-6-13-5-7-17(23)21-20-13/h1-5,7,14H,6,8-12H2,(H,21,23)
InChIKeyWXFMMJPNUYLSSS-UHFFFAOYSA-N
XLogP2.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555027
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
3-[4-[4-(2-chlorophenoxy)butanoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108536272
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
3-[3-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 155498935
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
3-[3-oxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-1H-pyridazin-6-one
CID 162626688
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70786895
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 70744636
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (CID 70708975) is 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is O=C(CCc1ccc(=O)[nH]n1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The InChIKey is WXFMMJPNUYLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-15-3-1-2-4-16(15)25-14-9-11-22(12-10-14)18(24)8-6-13-5-7-17(23)21-20-13/h1-5,7,14H,6,8-12H2,(H,21,23).
What are the key properties of 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one has a molecular weight of 361.83 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 70708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).