ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate

C12H20F3N3O3 — CID 60646631

IUPACethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c1-2-21-11(20)18-5-3-9(4-6-18)16-7-10(19)17-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyBKHLYZNUYKVSRD-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.88
Rot. Bonds5

About ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate (PubChem CID 60646631) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate
PubChem CID60646631
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Nameethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c1-2-21-11(20)18-5-3-9(4-6-18)16-7-10(19)17-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyBKHLYZNUYKVSRD-UHFFFAOYSA-N
XLogP0.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
Tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 21993671
Ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 8890899
2,2,2-trifluoroethyl N-(2-(2-methylpiperidin-1-yl)ethyl)carbamate
CID 50987791
Ethyl 4-(2-(tert-butylamino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45497341
ethyl N-[2-(cyclohexylamino)-2-oxoethyl]-N-methylcarbamate
CID 47039982
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
CID 164642448
Ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 62491090
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
CID 21059953
Tert-butyl 2-[(trifluoroacetamido)methyl]piperidine-1-carboxylate
CID 23450126
tert-Butyl (3S)-3-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 45158813

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate (CID 60646631) is ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is BKHLYZNUYKVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-2-21-11(20)18-5-3-9(4-6-18)16-7-10(19)17-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 60646631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).