8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone

C17H22FNO — CID 79796110

IUPAC8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C17H22FNO/c1-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyOSYZCCWHEHBLLV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.93
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone

8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone (PubChem CID 79796110) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
PubChem CID79796110
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C17H22FNO/c1-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyOSYZCCWHEHBLLV-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(7,7-dimethyl-1,4-thiazepan-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 107300773
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 120805698
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
(7,7-dimethyl-1,4-thiazepan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 107300708
3-azaspiro[5.5]undecan-3-yl-(2-methyl-5-sulfanylphenyl)methanone
CID 107028893
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone (CID 79796110) is 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(F)c1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is OSYZCCWHEHBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone?
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 275.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 79796110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).