ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate

C12H19F3N2O3 — CID 78914745

IUPACethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-4-3-5-17(7-9)10(18)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyJHANJKKUVOUTHC-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.94
Rot. Bonds5

About ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate (PubChem CID 78914745) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
PubChem CID78914745
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Nameethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-4-3-5-17(7-9)10(18)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyJHANJKKUVOUTHC-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate 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

(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
CID 166771606

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate (CID 78914745) is ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CNCC(F)(F)F)C1.
What is the InChIKey of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate?
The InChIKey is JHANJKKUVOUTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-4-3-5-17(7-9)10(18)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate has a molecular weight of 296.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78914745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).