3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one

C19H27NO — CID 63159990

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C19H27NO/c1-16-6-2-3-7-17(16)18(21)8-13-20-14-11-19(12-15-20)9-4-5-10-19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyLUDOSTAUOYVRHJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.22
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one (PubChem CID 63159990) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
PubChem CID63159990
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C19H27NO/c1-16-6-2-3-7-17(16)18(21)8-13-20-14-11-19(12-15-20)9-4-5-10-19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyLUDOSTAUOYVRHJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 63482480
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 18626324
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one
CID 70062987
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 18626405
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-methylphenyl)propan-1-one
CID 82753538
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one (CID 63159990) is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCN1CCC2(CCCC2)CC1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one?
The InChIKey is LUDOSTAUOYVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-16-6-2-3-7-17(16)18(21)8-13-20-14-11-19(12-15-20)9-4-5-10-19/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one?
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 63159990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).