9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C22H24F3N3O2 — CID 134807046

IUPAC9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCc1cccc(C)c1CN1CC2(COCC1=O)CN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H24F3N3O2/c1-15-4-3-5-16(2)18(15)9-27-11-21(14-30-10-20(27)29)12-28(13-21)19-7-6-17(8-26-19)22(23,24)25/h3-8H,9-14H2,1-2H3
InChIKeyCFNRITUYWHOAKH-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.58
Rot. Bonds3

About 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134807046) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134807046
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCc1cccc(C)c1CN1CC2(COCC1=O)CN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H24F3N3O2/c1-15-4-3-5-16(2)18(15)9-27-11-21(14-30-10-20(27)29)12-28(13-21)19-7-6-17(8-26-19)22(23,24)25/h3-8H,9-14H2,1-2H3
InChIKeyCFNRITUYWHOAKH-UHFFFAOYSA-N
XLogP3.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one with MolForge

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562402
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyridin-2-yl-acetamide
CID 14330359
N-benzyl-2-methoxy-N-2-pyridinylacetamide
CID 798237
9-[(2-Methylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806381
9-[(2-Chloro-4-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805037
9-(4-Fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805757
9-(2-Fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806062
9-Pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806066
9-[(2-Chloro-6-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134809101
1-[(11Z)-11-(2,2-difluoroethylidene)-6H-pyrido[2,3-c][2]benzazepin-5-yl]-2,2,2-trifluoroethanone
CID 164677612
9-[(3,4-Dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805740
[2-(Methylamino)-2-oxoethyl] 4-[5-[3-(trifluoromethyl)phenyl]pyridin-2-yl]-1,4-diazepane-1-carboxylate
CID 11305132

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134807046) is 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is Cc1cccc(C)c1CN1CC2(COCC1=O)CN(c1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is CFNRITUYWHOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-15-4-3-5-16(2)18(15)9-27-11-21(14-30-10-20(27)29)12-28(13-21)19-7-6-17(8-26-19)22(23,24)25/h3-8H,9-14H2,1-2H3.
What are the key properties of 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 419.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134807046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).