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

C20H24N4O3 — CID 16884527

IUPAC2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)CCCn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H24N4O3/c1-16(25)22-12-14-23(15-13-22)19(26)8-5-11-24-20(27)10-9-18(21-24)17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3
InChIKeyQOXBGXCNFYPONV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.38
Rot. Bonds5

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

2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one (PubChem CID 16884527) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
PubChem CID16884527
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)CCCn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H24N4O3/c1-16(25)22-12-14-23(15-13-22)19(26)8-5-11-24-20(27)10-9-18(21-24)17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3
InChIKeyQOXBGXCNFYPONV-UHFFFAOYSA-N
XLogP1.38
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884417
2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one
CID 16884528
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
6-(4-chlorophenyl)-2-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyridazin-3-one
CID 5046314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one (CID 16884527) is 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one is CC(=O)N1CCN(C(=O)CCCn2nc(-c3ccccc3)ccc2=O)CC1.
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one?
The InChIKey is QOXBGXCNFYPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-16(25)22-12-14-23(15-13-22)19(26)8-5-11-24-20(27)10-9-18(21-24)17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3.
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one?
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one has a molecular weight of 368.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 16884527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).