2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one

C24H25ClN4O2 — CID 16884417

IUPAC2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H25ClN4O2/c25-20-8-4-9-21(18-20)27-14-16-28(17-15-27)23(30)10-5-13-29-24(31)12-11-22(26-29)19-6-2-1-3-7-19/h1-4,6-9,11-12,18H,5,10,13-17H2
InChIKeyKENXTTYEWZDGPD-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one

2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one (PubChem CID 16884417) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
PubChem CID16884417
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H25ClN4O2/c25-20-8-4-9-21(18-20)27-14-16-28(17-15-27)23(30)10-5-13-29-24(31)12-11-22(26-29)19-6-2-1-3-7-19/h1-4,6-9,11-12,18H,5,10,13-17H2
InChIKeyKENXTTYEWZDGPD-UHFFFAOYSA-N
XLogP3.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one
CID 16884528
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylimidazol-1-yl)propan-1-one
CID 44594642
2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4067221

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one (CID 16884417) is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one is O=C(CCCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one?
The InChIKey is KENXTTYEWZDGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-20-8-4-9-21(18-20)27-14-16-28(17-15-27)23(30)10-5-13-29-24(31)12-11-22(26-29)19-6-2-1-3-7-19/h1-4,6-9,11-12,18H,5,10,13-17H2.
What are the key properties of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one?
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one has a molecular weight of 436.94 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 16884417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).