(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C15H19F3N2O2 — CID 51944394

IUPAC(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-7-11(2)9-20(8-10)14(21)19-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/t10-,11+
InChIKeyJSUNECUFIGYMAO-PHIMTYICSA-N
MW316.32 g/mol
LogP4.09
Rot. Bonds2

About (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 51944394) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID51944394
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-7-11(2)9-20(8-10)14(21)19-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/t10-,11+
InChIKeyJSUNECUFIGYMAO-PHIMTYICSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
(3aS,7aR)-N-(4-fluorophenyl)-4-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 71041310
(3,5-dimethylpiperidin-1-yl)-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955179
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 51944394) is (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is JSUNECUFIGYMAO-PHIMTYICSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-7-11(2)9-20(8-10)14(21)19-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/t10-,11+.
What are the key properties of (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 51944394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).