1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

C16H24F3N3O2 — CID 87252780

IUPAC1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@H]1CC[C@@H](C)N1
InChIInChI=1S/C16H24F3N3O2/c1-3-11-8-22(14(24)16(17,18)19)15(6-7-15)9-21(11)13(23)12-5-4-10(2)20-12/h10-12,20H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyQEKIUHXWBSBQRX-GRYCIOLGSA-N
MW347.38 g/mol
LogP1.67
Rot. Bonds2

About 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 87252780) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
PubChem CID87252780
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@H]1CC[C@@H](C)N1
InChIInChI=1S/C16H24F3N3O2/c1-3-11-8-22(14(24)16(17,18)19)15(6-7-15)9-21(11)13(23)12-5-4-10(2)20-12/h10-12,20H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyQEKIUHXWBSBQRX-GRYCIOLGSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone 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
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
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
(2S,4R)-2-tert-butyl-2-[(6R)-6-ethyl-4-(2,2,2-trifluoroacetyl)-4,7-diazaspiro[2.5]octane-7-carbonyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 87395349
tert-butyl (2S,4R)-2-[(6R)-6-ethyl-4-(2,2,2-trifluoroacetyl)-4,7-diazaspiro[2.5]octane-7-carbonyl]-4-fluoropyrrolidine-1-carboxylate;1-[(6R)-6-ethyl-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158237337
(6R)-6-ethyl-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carbonyl fluoride
CID 153302172
1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542340
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
CID 58542384
[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 130747829
1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
CID 130640020
(6-methylpiperidin-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83055375
tert-butyl 3-ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 154652517

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 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) is 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is CC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@H]1CC[C@@H](C)N1.
What is the InChIKey of 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is QEKIUHXWBSBQRX-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-3-11-8-22(14(24)16(17,18)19)15(6-7-15)9-21(11)13(23)12-5-4-10(2)20-12/h10-12,20H,3-9H2,1-2H3/t10-,11+,12-/m1/s1.
What are the key properties of 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 347.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 87252780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).