6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one

C23H26N4O4 — CID 2021334

IUPAC6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(OCN2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)CC2)cc1
InChIInChI=1S/C23H26N4O4/c1-30-19-7-9-20(10-8-19)31-17-25-13-15-26(16-14-25)23(29)21-11-12-22(28)27(24-21)18-5-3-2-4-6-18/h2-11,24H,12-17H2,1H3
InChIKeyCVJBNOZLMRLBMZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.00
Rot. Bonds6

About 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one

6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one (PubChem CID 2021334) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
PubChem CID2021334
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(OCN2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)CC2)cc1
InChIInChI=1S/C23H26N4O4/c1-30-19-7-9-20(10-8-19)31-17-25-13-15-26(16-14-25)23(29)21-11-12-22(28)27(24-21)18-5-3-2-4-6-18/h2-11,24H,12-17H2,1H3
InChIKeyCVJBNOZLMRLBMZ-UHFFFAOYSA-N
XLogP2.00
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one with MolForge

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Related Compounds

2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2028193
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
6-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2022842
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one (CID 2021334) is 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one is COc1ccc(OCN2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The InChIKey is CVJBNOZLMRLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-30-19-7-9-20(10-8-19)31-17-25-13-15-26(16-14-25)23(29)21-11-12-22(28)27(24-21)18-5-3-2-4-6-18/h2-11,24H,12-17H2,1H3.
What are the key properties of 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one has a molecular weight of 422.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2021334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).