2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one

C19H21N3O4 — CID 4061012

IUPAC2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-7H,8-14H2
InChIKeyBKYIDXPHTGPAKD-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.28
Rot. Bonds3

About 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 4061012) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID4061012
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-7H,8-14H2
InChIKeyBKYIDXPHTGPAKD-UHFFFAOYSA-N
XLogP1.28
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3(2H)-one
CID 5057198
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3550503
2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 4582586
2-(2-morpholino-2-oxoethyl)-6-phenylpyridazin-3(2H)-one
CID 5053337
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4423280
3(2H)-Pyridazinone, 4-methyl-2-(morpholinocarbonylmethyl)-6-phenyl-
CID 207645
6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]pyridazin-3(2H)-one
CID 5046312
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 16194625
N-[1,4]Dioxan-2-ylmethyl-2-(6-oxo-3-phenyl-6H-pyridazin-1-yl)-acetamide
CID 653494
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-ethylphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 16188118
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515226
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one (CID 4061012) is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one is O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is BKYIDXPHTGPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-7H,8-14H2.
What are the key properties of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 355.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 4061012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).