(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide

C11H17F3N2O3 — CID 95232916

IUPAC(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,18)/t7-,8+/m1/s1
InChIKeyWJLHNTBVEIFKNV-SFYZADRCSA-N
MW282.26 g/mol
LogP0.68
Rot. Bonds4

About (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide

(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide (PubChem CID 95232916) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
PubChem CID95232916
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,18)/t7-,8+/m1/s1
InChIKeyWJLHNTBVEIFKNV-SFYZADRCSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide (CID 95232916) is (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCC(F)(F)F.
What is the InChIKey of (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is WJLHNTBVEIFKNV-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,18)/t7-,8+/m1/s1.
What are the key properties of (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 95232916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).