(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone

C17H23NO2 — CID 110197927

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C17H23NO2/c1-13-4-3-5-14(12-13)16(19)18-10-8-17(9-11-18)7-6-15(17)20-2/h3-5,12,15H,6-11H2,1-2H3
InChIKeyFSGOABXBOGJXCL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone (PubChem CID 110197927) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone
PubChem CID110197927
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C17H23NO2/c1-13-4-3-5-14(12-13)16(19)18-10-8-17(9-11-18)7-6-15(17)20-2/h3-5,12,15H,6-11H2,1-2H3
InChIKeyFSGOABXBOGJXCL-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone (CID 110197927) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone is COC1CCC12CCN(C(=O)c1cccc(C)c1)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone?
The InChIKey is FSGOABXBOGJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-4-3-5-14(12-13)16(19)18-10-8-17(9-11-18)7-6-15(17)20-2/h3-5,12,15H,6-11H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 110197927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).