4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide

C14H14F6N2O2 — CID 89332293

IUPAC4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H14F6N2O2/c15-13(16,17)8-5-9(14(18,19)20)7-11(6-8)24-10-1-3-22(4-2-10)12(21)23/h5-7,10H,1-4H2,(H2,21,23)
InChIKeyIQEINVHFWHBBMP-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.65
Rot. Bonds2

About 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide

4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide (PubChem CID 89332293) has the molecular formula C14H14F6N2O2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
PubChem CID89332293
Molecular FormulaC14H14F6N2O2
Molecular Weight356.27 g/mol
Exact Mass356.10
IUPAC Name4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H14F6N2O2/c15-13(16,17)8-5-9(14(18,19)20)7-11(6-8)24-10-1-3-22(4-2-10)12(21)23/h5-7,10H,1-4H2,(H2,21,23)
InChIKeyIQEINVHFWHBBMP-UHFFFAOYSA-N
XLogP3.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide (CID 89332293) is 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide is NC(=O)N1CCC(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is IQEINVHFWHBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O2/c15-13(16,17)8-5-9(14(18,19)20)7-11(6-8)24-10-1-3-22(4-2-10)12(21)23/h5-7,10H,1-4H2,(H2,21,23).
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 356.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 89332293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).