1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone

C19H22F6N2O2 — CID 3232667

IUPAC1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
InChIInChI=1S/C19H22F6N2O2/c1-29-10-16(28)27-4-2-17(3-5-27)11-26(12-17)9-13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8H,2-5,9-12H2,1H3
InChIKeyCDBIFXIBDWEFQW-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone (PubChem CID 3232667) has the molecular formula C19H22F6N2O2 and a molecular weight of 424.39 g/mol. Its IUPAC name is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone
PubChem CID3232667
Molecular FormulaC19H22F6N2O2
Molecular Weight424.39 g/mol
Exact Mass424.16
IUPAC Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
InChIInChI=1S/C19H22F6N2O2/c1-29-10-16(28)27-4-2-17(3-5-27)11-26(12-17)9-13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8H,2-5,9-12H2,1H3
InChIKeyCDBIFXIBDWEFQW-UHFFFAOYSA-N
XLogP3.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 3232922
1-[9-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3233594
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-(2-Benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
CID 3234333
1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3234384
1-[9-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxyethanone
CID 3232601
1-(2-Benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
CID 3233655
4-[[7-(2-Methoxyacetyl)-2,7-diazaspiro[3.5]nonan-2-yl]methyl]benzonitrile
CID 3234643
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234917
1-(9-Benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 3235366
N-{7-[(2,4-Difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-YL}-2-methoxyacetamide
CID 124045338

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone (CID 3232667) is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2.
What is the InChIKey of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone?
The InChIKey is CDBIFXIBDWEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6N2O2/c1-29-10-16(28)27-4-2-17(3-5-27)11-26(12-17)9-13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8H,2-5,9-12H2,1H3.
What are the key properties of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone?
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone has a molecular weight of 424.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone is sourced from PubChem (CID 3232667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).