(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C15H19F3N2O2 — CID 145433409

IUPAC(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCNC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-4-3-10(13(21)8-12)5-7-20-14(22)11-2-1-6-19-9-11/h3-4,8,11,19,21H,1-2,5-7,9H2,(H,20,22)/t11-/m1/s1
InChIKeyOCZWUIMYILEMJM-LLVKDONJSA-N
MW316.32 g/mol
LogP2.07
Rot. Bonds4

About (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 145433409) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID145433409
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCNC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-4-3-10(13(21)8-12)5-7-20-14(22)11-2-1-6-19-9-11/h3-4,8,11,19,21H,1-2,5-7,9H2,(H,20,22)/t11-/m1/s1
InChIKeyOCZWUIMYILEMJM-LLVKDONJSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 145433409) is (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is OCZWUIMYILEMJM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)12-4-3-10(13(21)8-12)5-7-20-14(22)11-2-1-6-19-9-11/h3-4,8,11,19,21H,1-2,5-7,9H2,(H,20,22)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 145433409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).