(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H23F3N2O2 — CID 129433486

IUPAC(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(CC[C@H]2CCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m1/s1
InChIKeyPALQDZIDGOMBOK-VXGBXAGGSA-N
MW308.34 g/mol
LogP1.95
Rot. Bonds5

About (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 129433486) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID129433486
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(CC[C@H]2CCCO2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m1/s1
InChIKeyPALQDZIDGOMBOK-VXGBXAGGSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988710
N-(2-aminoethyl)-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboxamide
CID 65162001
(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide
CID 99604716
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784
(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
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99847417
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
1-(1-morpholin-4-ylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 84596247

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 129433486) is (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CCCN(CC[C@H]2CCCO2)C1.
What is the InChIKey of (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PALQDZIDGOMBOK-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-13(20)11-3-1-6-19(9-11)7-5-12-4-2-8-21-12/h11-12H,1-10H2,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 129433486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).