(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

C20H20F3N3O2 — CID 138054995

IUPAC(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1OCC(F)(F)F)N1CC2(CCN2Cc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-28-16-7-4-9-24-17(16)18(27)25-12-19(13-25)8-10-26(19)11-15-5-2-1-3-6-15/h1-7,9H,8,10-14H2
InChIKeyLLCHLSGZPUAIHF-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.12
Rot. Bonds5

About (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (PubChem CID 138054995) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
PubChem CID138054995
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1OCC(F)(F)F)N1CC2(CCN2Cc2ccccc2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-28-16-7-4-9-24-17(16)18(27)25-12-19(13-25)8-10-26(19)11-15-5-2-1-3-6-15/h1-7,9H,8,10-14H2
InChIKeyLLCHLSGZPUAIHF-UHFFFAOYSA-N
XLogP3.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 120807882
[(3S)-3-methylpiperazin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 124591094
(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 71974411
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 166227834
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 119661860
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 138054999
[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155838369
(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 175772486
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The IUPAC name of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (CID 138054995) is (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The canonical SMILES for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is O=C(c1ncccc1OCC(F)(F)F)N1CC2(CCN2Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The InChIKey is LLCHLSGZPUAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)14-28-16-7-4-9-24-17(16)18(27)25-12-19(13-25)8-10-26(19)11-15-5-2-1-3-6-15/h1-7,9H,8,10-14H2.
What are the key properties of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone has a molecular weight of 391.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 138054995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).