6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone

C16H21NO3 — CID 116573137

IUPAC6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1
InChIInChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3
InChIKeyQFUUSSMVMNTFMC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds4

About 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone

6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 116573137) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID116573137
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1
InChIInChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3
InChIKeyQFUUSSMVMNTFMC-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone 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

6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
CID 116573122
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116573146
6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
CID 116573257
6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116573161
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
CID 79638515
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
[(1S,3S,8aS)-3-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 144667510
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
(3,5-dimethoxyphenyl) piperidine-4-carboxylate
CID 94276991
6-azaspiro[2.5]octan-2-yl-(2,3-dichlorophenyl)methanone
CID 116573087
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone (CID 116573137) is 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is QFUUSSMVMNTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116573137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).