1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H17F3N2O4 — CID 71988713

IUPAC1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)8-18-13(22)9-2-1-3-19(5-9)6-10-4-11(20)12(21)7-23-10/h4,7,9,21H,1-3,5-6,8H2,(H,18,22)
InChIKeyUGPVTAZGTGKBSW-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.24
Rot. Bonds4

About 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988713) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988713
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)8-18-13(22)9-2-1-3-19(5-9)6-10-4-11(20)12(21)7-23-10/h4,7,9,21H,1-3,5-6,8H2,(H,18,22)
InChIKeyUGPVTAZGTGKBSW-UHFFFAOYSA-N
XLogP1.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988713) is 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(Cc2cc(=O)c(O)co2)C1.
What is the InChIKey of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is UGPVTAZGTGKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c15-14(16,17)8-18-13(22)9-2-1-3-19(5-9)6-10-4-11(20)12(21)7-23-10/h4,7,9,21H,1-3,5-6,8H2,(H,18,22).
What are the key properties of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 334.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).