1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one

C19H27NO3 — CID 91907694

IUPAC1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one
SMILESCOC1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H27NO3/c1-22-17-9-14-23-19(15-17)10-12-20(13-11-19)18(21)8-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyZVRYBFIUKAFPOE-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one

1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one (PubChem CID 91907694) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one
PubChem CID91907694
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one
SMILESCOC1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H27NO3/c1-22-17-9-14-23-19(15-17)10-12-20(13-11-19)18(21)8-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyZVRYBFIUKAFPOE-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
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
N-(2-cyanoethyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methyl-4-phenylbutanamide
CID 4041116
1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate
CID 19696502
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-Methyl-N-[(oxan-4-YL)methyl]-4-phenylbutanamide
CID 91914992
N-benzyl-N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-phenylacetamide
CID 2877769
(1-Methylpiperidin-4-yl) 4-phenylbutanoate
CID 12437918
Ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 46942771

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one (CID 91907694) is 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one is COC1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one?
The InChIKey is ZVRYBFIUKAFPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-17-9-14-23-19(15-17)10-12-20(13-11-19)18(21)8-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one?
1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylpropan-1-one has a molecular weight of 317.43 g/mol, XLogP of 2.81, 4 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)-3-phenylpropan-1-one is sourced from PubChem (CID 91907694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).