1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H23F3N2O2 — CID 97362463

IUPAC1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C19H23F3N2O2/c1-13-3-4-15(11-16(13)19(20,21)22)17(26)23-8-5-18(6-9-23)7-10-24(12-18)14(2)25/h3-4,11H,5-10,12H2,1-2H3
InChIKeyALRKREMKTUYCIY-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.49
Rot. Bonds1

About 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 97362463) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID97362463
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C19H23F3N2O2/c1-13-3-4-15(11-16(13)19(20,21)22)17(26)23-8-5-18(6-9-23)7-10-24(12-18)14(2)25/h3-4,11H,5-10,12H2,1-2H3
InChIKeyALRKREMKTUYCIY-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

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Related Compounds

N-(4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine
CID 51031001
Teijin-lead_cmp_5
CID 44353447
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354
N,N-dimethyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218397
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
4-(2-Phenylethyl)piperazinyl 3-(trifluoromethyl)phenyl ketone
CID 1245665
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
1-(3,4-Dimethylbenzoyl)-4-methylpiperidine
CID 789001
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone
CID 511304
[3-methyl-4-(2-methylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890485

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 97362463) is 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CCC2(CCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is ALRKREMKTUYCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-13-3-4-15(11-16(13)19(20,21)22)17(26)23-8-5-18(6-9-23)7-10-24(12-18)14(2)25/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 368.40 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 97362463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).