2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone

C17H24F3N3O2 — CID 163976525

IUPAC2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone
SMILESCC1C[C@@]12CN(C(=O)C(F)(F)F)C1(CC1)CN2C(=O)C1CC[C@@H](C)N1
InChIInChI=1S/C17H24F3N3O2/c1-10-7-16(10)9-23(14(25)17(18,19)20)15(5-6-15)8-22(16)13(24)12-4-3-11(2)21-12/h10-12,21H,3-9H2,1-2H3/t10?,11-,12?,16-/m1/s1
InChIKeySUPYIIQCRFXCNQ-FFWUIGBBSA-N
MW359.39 g/mol
LogP1.67
Rot. Bonds1

About 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone

2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone (PubChem CID 163976525) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone
PubChem CID163976525
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone
SMILESCC1C[C@@]12CN(C(=O)C(F)(F)F)C1(CC1)CN2C(=O)C1CC[C@@H](C)N1
InChIInChI=1S/C17H24F3N3O2/c1-10-7-16(10)9-23(14(25)17(18,19)20)15(5-6-15)8-22(16)13(24)12-4-3-11(2)21-12/h10-12,21H,3-9H2,1-2H3/t10?,11-,12?,16-/m1/s1
InChIKeySUPYIIQCRFXCNQ-FFWUIGBBSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone with MolForge

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Related Compounds

1-[(6R)-6-ethyl-7-[(2S,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 87252930
1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 87252780
1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542340
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
ethane;1-(5-methylpyrrolidin-2-yl)ethanone
CID 145078536
(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone
CID 68806111
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
CID 58542384
2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone
CID 101411695
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride
CID 87396031
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
1-(4'-tert-butylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cyclohexane]-3-yl)-2,2,2-trifluoroethanone
CID 6421277

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone (CID 163976525) is 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone is CC1C[C@@]12CN(C(=O)C(F)(F)F)C1(CC1)CN2C(=O)C1CC[C@@H](C)N1.
What is the InChIKey of 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone?
The InChIKey is SUPYIIQCRFXCNQ-FFWUIGBBSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-10-7-16(10)9-23(14(25)17(18,19)20)15(5-6-15)8-22(16)13(24)12-4-3-11(2)21-12/h10-12,21H,3-9H2,1-2H3/t10?,11-,12?,16-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone?
2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone has a molecular weight of 359.39 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(6S)-8-methyl-5-[(5R)-5-methylpyrrolidine-2-carbonyl]-5,10-diazadispiro[2.2.26.23]decan-10-yl]ethanone is sourced from PubChem (CID 163976525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).