[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

C15H22N4O2 — CID 97450581

IUPAC[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
SMILESCN(C)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1
InChIInChI=1S/C15H22N4O2/c1-18(2)13-9-15(21-11-13)4-7-19(8-5-15)14(20)12-3-6-16-17-10-12/h3,6,10,13H,4-5,7-9,11H2,1-2H3/t13-/m0/s1
InChIKeyXGGWBDAFLOCICG-ZDUSSCGKSA-N
MW290.37 g/mol
LogP0.80
Rot. Bonds2

About [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (PubChem CID 97450581) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
PubChem CID97450581
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
SMILESCN(C)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1
InChIInChI=1S/C15H22N4O2/c1-18(2)13-9-15(21-11-13)4-7-19(8-5-15)14(20)12-3-6-16-17-10-12/h3,6,10,13H,4-5,7-9,11H2,1-2H3/t13-/m0/s1
InChIKeyXGGWBDAFLOCICG-ZDUSSCGKSA-N
XLogP0.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone 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

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
CID 98894548
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 131651452
[(3R,4S)-4-(dimethylamino)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 110124969
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-hydroxycyclobutyl)methanone
CID 131690369
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
N-[(3S,4S)-4-hydroxy-4-methyl-9-(pyridazine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-3-yl]cyclobutanecarboxamide
CID 165426143
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (CID 97450581) is [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is CN(C)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1.
What is the InChIKey of [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The InChIKey is XGGWBDAFLOCICG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)13-9-15(21-11-13)4-7-19(8-5-15)14(20)12-3-6-16-17-10-12/h3,6,10,13H,4-5,7-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97450581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).