(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone

C23H24N4O2 — CID 134803605

IUPAC(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nn1
InChIInChI=1S/C23H24N4O2/c1-29-22-11-10-21(24-25-22)19-8-5-9-20(16-19)23(28)27-14-12-26(13-15-27)17-18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3
InChIKeyDYUDVZOYBYZPOR-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.11
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone (PubChem CID 134803605) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
PubChem CID134803605
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nn1
InChIInChI=1S/C23H24N4O2/c1-29-22-11-10-21(24-25-22)19-8-5-9-20(16-19)23(28)27-14-12-26(13-15-27)17-18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3
InChIKeyDYUDVZOYBYZPOR-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868
CID 134801234
CID 134801234
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
CID 134803813
CID 134803813
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone (CID 134803605) is (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone is COc1ccc(-c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nn1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone?
The InChIKey is DYUDVZOYBYZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-22-11-10-21(24-25-22)19-8-5-9-20(16-19)23(28)27-14-12-26(13-15-27)17-18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone is sourced from PubChem (CID 134803605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).