N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide

C14H21F3N2O3 — CID 71983937

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-3-10(4-6-19)8-18-12(20)11-2-1-7-22-9-11/h10-11H,1-9H2,(H,18,20)
InChIKeyQJJDGRUZBIVVPV-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.33
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide (PubChem CID 71983937) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
PubChem CID71983937
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-3-10(4-6-19)8-18-12(20)11-2-1-7-22-9-11/h10-11H,1-9H2,(H,18,20)
InChIKeyQJJDGRUZBIVVPV-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 71979287
(3S)-N-[[1-(cyanomethyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 96526066
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
CID 62759955
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983917
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 72000625
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
CID 82811551
(3R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 97571587
(3S)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]oxane-3-carboxamide
CID 97571588
(3S)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586698
(3R)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586699
(3S)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591430
(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591432

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide (CID 71983937) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide is O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCOC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The InChIKey is QJJDGRUZBIVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-5-3-10(4-6-19)8-18-12(20)11-2-1-7-22-9-11/h10-11H,1-9H2,(H,18,20).
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 71983937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).