2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one

C19H24N4O3 — CID 91774299

IUPAC2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-21-19(25)14-16(15-20-21)22-9-11-23(12-10-22)18(24)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13H2,1H3
InChIKeyZJZJFOSYWNTTOK-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.29
Rot. Bonds6

About 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 91774299) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
PubChem CID91774299
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-21-19(25)14-16(15-20-21)22-9-11-23(12-10-22)18(24)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13H2,1H3
InChIKeyZJZJFOSYWNTTOK-UHFFFAOYSA-N
XLogP1.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 2164014
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 45227534
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one (CID 91774299) is 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is ZJZJFOSYWNTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-19(25)14-16(15-20-21)22-9-11-23(12-10-22)18(24)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13H2,1H3.
What are the key properties of 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91774299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).