methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate

C13H21F3N2O3 — CID 62674550

IUPACmethyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CC1CCCNC1
InChIInChI=1S/C13H21F3N2O3/c1-21-12(20)4-6-18(9-13(14,15)16)11(19)7-10-3-2-5-17-8-10/h10,17H,2-9H2,1H3
InChIKeyLHILBQQCIXEVBV-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.33
Rot. Bonds6

About methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 62674550) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID62674550
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Namemethyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CC1CCCNC1
InChIInChI=1S/C13H21F3N2O3/c1-21-12(20)4-6-18(9-13(14,15)16)11(19)7-10-3-2-5-17-8-10/h10,17H,2-9H2,1H3
InChIKeyLHILBQQCIXEVBV-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 62674550) is methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)CC1CCCNC1.
What is the InChIKey of methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is LHILBQQCIXEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-21-12(20)4-6-18(9-13(14,15)16)11(19)7-10-3-2-5-17-8-10/h10,17H,2-9H2,1H3.
What are the key properties of methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 310.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 62674550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).