1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone

C18H25NO3 — CID 91917949

IUPAC1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO3/c1-21-16-7-12-22-18(14-16)8-10-19(11-9-18)17(20)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeySQYCEOIIZMAUIO-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone

1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone (PubChem CID 91917949) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
PubChem CID91917949
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO3/c1-21-16-7-12-22-18(14-16)8-10-19(11-9-18)17(20)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeySQYCEOIIZMAUIO-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone 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

(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
1-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanoyl]pyrrolidine
CID 3795985
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
CID 2957681
2-(4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 3341411
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
N-benzyl-N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-phenylacetamide
CID 2877769
(1-Methylpiperidin-4-yl) 4-phenylbutanoate
CID 12437918
2-(2-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150862
2-(4-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidino]-1-ethanone
CID 53150869
(2-Methylmorpholin-4-yl)-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 53509665
2-(3-Fluorophenyl)-1-[4-(2-methoxyethoxy)piperidin-1-YL]ethan-1-one
CID 72011463

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The IUPAC name of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone (CID 91917949) is 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone is COC1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The InChIKey is SQYCEOIIZMAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-16-7-12-22-18(14-16)8-10-19(11-9-18)17(20)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone has a molecular weight of 303.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone is sourced from PubChem (CID 91917949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).