1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H23F3N2O2 — CID 71988710

IUPAC1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CC2CCCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-4-3-6-19(8-11)9-12-5-1-2-7-21-12/h11-12H,1-10H2,(H,18,20)
InChIKeyHXLZXHICWONKKR-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.95
Rot. Bonds4

About 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988710) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988710
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CC2CCCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-4-3-6-19(8-11)9-12-5-1-2-7-21-12/h11-12H,1-10H2,(H,18,20)
InChIKeyHXLZXHICWONKKR-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129433486
(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99847417
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
1-(1-morpholin-4-ylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 84596247
N-(2-aminoethyl)-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboxamide
CID 65162001
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 166216793
tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
CID 97224551

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988710) is 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(CC2CCCCO2)C1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HXLZXHICWONKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-4-3-6-19(8-11)9-12-5-1-2-7-21-12/h11-12H,1-10H2,(H,18,20).
What are the key properties of 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).