4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

C20H23F3N2O3 — CID 129284851

IUPAC4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CN(C(=O)C(F)(F)F)[C@@H]2C[C@@]23CCc2ccccc23)CC1
InChIInChI=1S/C20H23F3N2O3/c21-20(22,23)17(26)25(12-13-6-9-24(10-7-13)18(27)28)16-11-19(16)8-5-14-3-1-2-4-15(14)19/h1-4,13,16H,5-12H2,(H,27,28)/t16-,19-/m1/s1
InChIKeyLMYFOKHLQFNWEM-VQIMIIECSA-N
MW396.41 g/mol
LogP3.42
Rot. Bonds3

About 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 129284851) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID129284851
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CN(C(=O)C(F)(F)F)[C@@H]2C[C@@]23CCc2ccccc23)CC1
InChIInChI=1S/C20H23F3N2O3/c21-20(22,23)17(26)25(12-13-6-9-24(10-7-13)18(27)28)16-11-19(16)8-5-14-3-1-2-4-15(14)19/h1-4,13,16H,5-12H2,(H,27,28)/t16-,19-/m1/s1
InChIKeyLMYFOKHLQFNWEM-VQIMIIECSA-N
XLogP3.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid 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

2-(5-Fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 118743058
2-(Dimethylamino)-1-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118743492
1-[1-(Dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 118744719
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 118745298
2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118745352
cyclopropyl-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]methanone
CID 21461196
1-[(9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 58294465
(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid
CID 66791285
1-(2,3,4,4a,9,9a-Hexahydroindeno[2,1-b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 76744264
2,2,2-Trifluoro-1-(12,12-dimethyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-ethanone
CID 86596196
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 86708248
1-[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305683

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (CID 129284851) is 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CN(C(=O)C(F)(F)F)[C@@H]2C[C@@]23CCc2ccccc23)CC1.
What is the InChIKey of 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is LMYFOKHLQFNWEM-VQIMIIECSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c21-20(22,23)17(26)25(12-13-6-9-24(10-7-13)18(27)28)16-11-19(16)8-5-14-3-1-2-4-15(14)19/h1-4,13,16H,5-12H2,(H,27,28)/t16-,19-/m1/s1.
What are the key properties of 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 396.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 129284851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).