6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

C25H26N4O5 — CID 38047108

IUPAC6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)CC2)c1
InChIInChI=1S/C25H26N4O5/c1-33-21-9-5-6-19(18-21)24(31)27-12-14-28(15-13-27)25(32)22-10-11-23(30)29(26-22)16-17-34-20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3
InChIKeyLFGYBVUXNXLCSY-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.93
Rot. Bonds7

About 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 38047108) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID38047108
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)CC2)c1
InChIInChI=1S/C25H26N4O5/c1-33-21-9-5-6-19(18-21)24(31)27-12-14-28(15-13-27)25(32)22-10-11-23(30)29(26-22)16-17-34-20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3
InChIKeyLFGYBVUXNXLCSY-UHFFFAOYSA-N
XLogP1.93
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32616229
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 43062887
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 70751844
3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 70716411
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38213819

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (CID 38047108) is 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is COc1cccc(C(=O)N2CCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is LFGYBVUXNXLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-33-21-9-5-6-19(18-21)24(31)27-12-14-28(15-13-27)25(32)22-10-11-23(30)29(26-22)16-17-34-20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3.
What are the key properties of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 462.51 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 38047108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).