tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate

C22H28F3N3O3 — CID 142459395

IUPACtert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H28F3N3O3/c1-21(2,3)31-20(30)27-10-6-7-15(12-27)13-28(14-22(23,24)25)19(29)18-11-16-8-4-5-9-17(16)26-18/h4-5,8-9,11,15,26H,6-7,10,12-14H2,1-3H3
InChIKeyQORNYUGOGBNAQV-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.82
Rot. Bonds4

About tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 142459395) has the molecular formula C22H28F3N3O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID142459395
Molecular FormulaC22H28F3N3O3
Molecular Weight439.48 g/mol
Exact Mass439.21
IUPAC Nametert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H28F3N3O3/c1-21(2,3)31-20(30)27-10-6-7-15(12-27)13-28(14-22(23,24)25)19(29)18-11-16-8-4-5-9-17(16)26-18/h4-5,8-9,11,15,26H,6-7,10,12-14H2,1-3H3
InChIKeyQORNYUGOGBNAQV-UHFFFAOYSA-N
XLogP4.82
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
tert-butyl 3-[[[4-[6-(1H-indol-2-yl)pyrazin-2-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 24760607
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
tert-butyl 3-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 71647595
tert-butyl (3R)-3-[(1,3-dioxoisoindol-2-yl)methyl]piperidine-1-carboxylate
CID 146286092
tert-butyl N-methyl-N-[[1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 47796274
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate (CID 142459395) is tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is QORNYUGOGBNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3/c1-21(2,3)31-20(30)27-10-6-7-15(12-27)13-28(14-22(23,24)25)19(29)18-11-16-8-4-5-9-17(16)26-18/h4-5,8-9,11,15,26H,6-7,10,12-14H2,1-3H3.
What are the key properties of tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 439.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142459395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).