(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C15H19FN2O — CID 131684380

IUPAC(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCc1cccc(F)c1C(=O)N1CC2(CCN(C)C2)C1
InChIInChI=1S/C15H19FN2O/c1-11-4-3-5-12(16)13(11)14(19)18-9-15(10-18)6-7-17(2)8-15/h3-5H,6-10H2,1-2H3
InChIKeyJQODUMVERLRZLW-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.91
Rot. Bonds1

About (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 131684380) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID131684380
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCc1cccc(F)c1C(=O)N1CC2(CCN(C)C2)C1
InChIInChI=1S/C15H19FN2O/c1-11-4-3-5-12(16)13(11)14(19)18-9-15(10-18)6-7-17(2)8-15/h3-5H,6-10H2,1-2H3
InChIKeyJQODUMVERLRZLW-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155879689
2-fluoro-6-methylbenzoic acid
CID 13478132
(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 168971957
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide
CID 138725981
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95043075
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 131684380) is (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is Cc1cccc(F)c1C(=O)N1CC2(CCN(C)C2)C1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is JQODUMVERLRZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11-4-3-5-12(16)13(11)14(19)18-9-15(10-18)6-7-17(2)8-15/h3-5H,6-10H2,1-2H3.
What are the key properties of (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 262.33 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131684380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).