6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone

C17H23NO2 — CID 116573146

IUPAC6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC23CCNCC3)cc1C
InChIInChI=1S/C17H23NO2/c1-11-9-15(20-3)12(2)8-13(11)16(19)14-10-17(14)4-6-18-7-5-17/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyFQAMLMQKSYWDAZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.88
Rot. Bonds3

About 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone

6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 116573146) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID116573146
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC23CCNCC3)cc1C
InChIInChI=1S/C17H23NO2/c1-11-9-15(20-3)12(2)8-13(11)16(19)14-10-17(14)4-6-18-7-5-17/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyFQAMLMQKSYWDAZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
CID 116573122
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
6-azaspiro[2.5]octan-2-yl-(2,3-dichlorophenyl)methanone
CID 116573087
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116573161

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone (CID 116573146) is 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CC23CCNCC3)cc1C.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is FQAMLMQKSYWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-9-15(20-3)12(2)8-13(11)16(19)14-10-17(14)4-6-18-7-5-17/h8-9,14,18H,4-7,10H2,1-3H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116573146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).