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

C15H22F3N3O2 — CID 123652283

IUPAC1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(F)(F)F)C3(CC3)C2)N1
InChIInChI=1S/C15H22F3N3O2/c1-2-10-3-4-11(19-10)12(22)20-7-8-21(13(23)15(16,17)18)14(9-20)5-6-14/h10-11,19H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyBYUJJCUCSKHIMN-MNOVXSKESA-N
MW333.35 g/mol
LogP1.28
Rot. Bonds2

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

1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 123652283) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
PubChem CID123652283
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(F)(F)F)C3(CC3)C2)N1
InChIInChI=1S/C15H22F3N3O2/c1-2-10-3-4-11(19-10)12(22)20-7-8-21(13(23)15(16,17)18)14(9-20)5-6-14/h10-11,19H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyBYUJJCUCSKHIMN-MNOVXSKESA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (CID 123652283) is 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is CC[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(F)(F)F)C3(CC3)C2)N1.
What is the InChIKey of 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is BYUJJCUCSKHIMN-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-2-10-3-4-11(19-10)12(22)20-7-8-21(13(23)15(16,17)18)14(9-20)5-6-14/h10-11,19H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 333.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 123652283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).