(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone

C17H21F3N2O2 — CID 134073617

IUPAC(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCOC2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1
InChIInChI=1S/C17H21F3N2O2/c1-21-9-10-24-16(11-21)7-4-8-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3
InChIKeyYZMYKEGPXWPWTA-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.64
Rot. Bonds1

About (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 134073617) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID134073617
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCOC2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1
InChIInChI=1S/C17H21F3N2O2/c1-21-9-10-24-16(11-21)7-4-8-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3
InChIKeyYZMYKEGPXWPWTA-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

[(6R)-8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043133
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 72865109
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
9-methyl-N-[2-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 138381723
(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 79078104
1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108547592
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
1-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 136549485
N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836675

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 134073617) is (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone is CN1CCOC2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1.
What is the InChIKey of (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is YZMYKEGPXWPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-21-9-10-24-16(11-21)7-4-8-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 342.36 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134073617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).