2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

C24H26N4O2 — CID 121079781

IUPAC2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ncccc1=O
InChIInChI=1S/C24H26N4O2/c1-19(28-22(29)13-8-14-25-28)24(30)27-17-15-26(16-18-27)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,23H,15-18H2,1H3
InChIKeyYZWSCKJRPHJAPP-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 121079781) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID121079781
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ncccc1=O
InChIInChI=1S/C24H26N4O2/c1-19(28-22(29)13-8-14-25-28)24(30)27-17-15-26(16-18-27)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,23H,15-18H2,1H3
InChIKeyYZWSCKJRPHJAPP-UHFFFAOYSA-N
XLogP2.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
CID 121079760
2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957975
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
2-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 3365703
2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46972601
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517585
[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 31615823
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
1-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-ethylurea
CID 42697437

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 121079781) is 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is CC(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ncccc1=O.
What is the InChIKey of 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is YZWSCKJRPHJAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-19(28-22(29)13-8-14-25-28)24(30)27-17-15-26(16-18-27)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,23H,15-18H2,1H3.
What are the key properties of 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 121079781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).