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

C27H30N4O4 — CID 36562735

IUPAC6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C27H30N4O4/c1-27(2,21-9-5-3-6-10-21)26(34)30-17-15-29(16-18-30)25(33)23-13-14-24(32)31(28-23)19-20-35-22-11-7-4-8-12-22/h3-14H,15-20H2,1-2H3
InChIKeyAOLFYDOAGGKAAY-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.58
Rot. Bonds7

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

6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 36562735) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID36562735
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C27H30N4O4/c1-27(2,21-9-5-3-6-10-21)26(34)30-17-15-29(16-18-30)25(33)23-13-14-24(32)31(28-23)19-20-35-22-11-7-4-8-12-22/h3-14H,15-20H2,1-2H3
InChIKeyAOLFYDOAGGKAAY-UHFFFAOYSA-N
XLogP2.58
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
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
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 43062887
2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 55836433
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (CID 36562735) is 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is CC(C)(C(=O)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1)c1ccccc1.
What is the InChIKey of 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is AOLFYDOAGGKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-27(2,21-9-5-3-6-10-21)26(34)30-17-15-29(16-18-30)25(33)23-13-14-24(32)31(28-23)19-20-35-22-11-7-4-8-12-22/h3-14H,15-20H2,1-2H3.
What are the key properties of 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 474.56 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 36562735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).