methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

C12H19F3N2O3 — CID 60947149

IUPACmethyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C12H19F3N2O3/c1-20-10(18)5-7-17(8-12(13,14)15)11(19)9-4-2-3-6-16-9/h9,16H,2-8H2,1H3
InChIKeyWLNBGMYHJRIZKH-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.08
Rot. Bonds5

About methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60947149) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60947149
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namemethyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C12H19F3N2O3/c1-20-10(18)5-7-17(8-12(13,14)15)11(19)9-4-2-3-6-16-9/h9,16H,2-8H2,1H3
InChIKeyWLNBGMYHJRIZKH-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate 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

methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871879
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54870149
methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 66236037
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63122134
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
(2R)-N,N-bis(2-amino-2-oxoethyl)piperidine-2-carboxamide
CID 104913884

Frequently Asked Questions

What is the IUPAC name of methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (CID 60947149) is methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C1CCCCN1.
What is the InChIKey of methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is WLNBGMYHJRIZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-20-10(18)5-7-17(8-12(13,14)15)11(19)9-4-2-3-6-16-9/h9,16H,2-8H2,1H3.
What are the key properties of methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 296.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60947149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).