methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate

C12H19F3N2O3 — CID 79260998

IUPACmethyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-20-11(19)6-9-4-2-3-5-17(9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyNHQSIAKSUHEPAY-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate (PubChem CID 79260998) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate
PubChem CID79260998
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namemethyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-20-11(19)6-9-4-2-3-5-17(9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyNHQSIAKSUHEPAY-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate (CID 79260998) is methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CNCC(F)(F)F.
What is the InChIKey of methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate?
The InChIKey is NHQSIAKSUHEPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-20-11(19)6-9-4-2-3-5-17(9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate 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 2-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]acetate is sourced from PubChem (CID 79260998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).