(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C14H17F3N2O — CID 30980962

IUPAC(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-1-3-10(7-12)8-19-6-2-4-11(9-19)13(18)20/h1,3,5,7,11H,2,4,6,8-9H2,(H2,18,20)/t11-/m1/s1
InChIKeyZPPDTHWNMAXMHH-LLVKDONJSA-N
MW286.30 g/mol
LogP2.40
Rot. Bonds3

About (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 30980962) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID30980962
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-1-3-10(7-12)8-19-6-2-4-11(9-19)13(18)20/h1,3,5,7,11H,2,4,6,8-9H2,(H2,18,20)/t11-/m1/s1
InChIKeyZPPDTHWNMAXMHH-LLVKDONJSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 45226266
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
1-[[7-methylsulfanyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-3-yl]methyl]piperidine-3-carboxamide
CID 118758576
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 30980962) is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ZPPDTHWNMAXMHH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-5-1-3-10(7-12)8-19-6-2-4-11(9-19)13(18)20/h1,3,5,7,11H,2,4,6,8-9H2,(H2,18,20)/t11-/m1/s1.
What are the key properties of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 30980962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).