(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H23F3N4O2 — CID 98773221

IUPAC(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2nnc(C)o2)C1
InChIInChI=1S/C15H23F3N4O2/c1-4-21(9-15(16,17)18)14(23)12-6-5-7-22(8-12)10(2)13-20-19-11(3)24-13/h10,12H,4-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyLPANYDWMXRNDRS-ZYHUDNBSSA-N
MW348.37 g/mol
LogP2.56
Rot. Bonds5

About (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 98773221) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID98773221
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2nnc(C)o2)C1
InChIInChI=1S/C15H23F3N4O2/c1-4-21(9-15(16,17)18)14(23)12-6-5-7-22(8-12)10(2)13-20-19-11(3)24-13/h10,12H,4-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyLPANYDWMXRNDRS-ZYHUDNBSSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 98773221) is (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2nnc(C)o2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is LPANYDWMXRNDRS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-4-21(9-15(16,17)18)14(23)12-6-5-7-22(8-12)10(2)13-20-19-11(3)24-13/h10,12H,4-9H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 98773221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).