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

C20H23N3O4 — CID 3364816

IUPAC2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23N3O4/c24-18(22-12-9-20(10-13-22)26-14-15-27-20)8-11-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2
InChIKeyDOGNROJGERILKD-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.67
Rot. Bonds4

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

2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one (PubChem CID 3364816) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one
PubChem CID3364816
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23N3O4/c24-18(22-12-9-20(10-13-22)26-14-15-27-20)8-11-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2
InChIKeyDOGNROJGERILKD-UHFFFAOYSA-N
XLogP1.67
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
ethyl 4-[3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanoyl]piperazine-1-carboxylate
CID 3236640
ethyl 1-[3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanoyl]piperidine-3-carboxylate
CID 3245090
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
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4423280
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
2-(3-Morpholin-4-yl-3-oxopropyl)-6-phenylpyridazin-3-one
CID 3240222
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
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480
2-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 20968259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one (CID 3364816) is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one is O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one?
The InChIKey is DOGNROJGERILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-18(22-12-9-20(10-13-22)26-14-15-27-20)8-11-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2.
What are the key properties of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one?
2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one has a molecular weight of 369.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 3364816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).