(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

C15H18F4N2O2 — CID 157020423

IUPAC(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCN1CC[C@H](O)[C@H](C(=O)NCc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H18F4N2O2/c1-21-6-5-12(22)10(8-21)14(23)20-7-9-3-2-4-11(13(9)16)15(17,18)19/h2-4,10,12,22H,5-8H2,1H3,(H,20,23)/t10-,12+/m1/s1
InChIKeyHMNDCJHPNXDFKJ-PWSUYJOCSA-N
MW334.31 g/mol
LogP1.77
Rot. Bonds3

About (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (PubChem CID 157020423) has the molecular formula C15H18F4N2O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
PubChem CID157020423
Molecular FormulaC15H18F4N2O2
Molecular Weight334.31 g/mol
Exact Mass334.13
IUPAC Name(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCN1CC[C@H](O)[C@H](C(=O)NCc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H18F4N2O2/c1-21-6-5-12(22)10(8-21)14(23)20-7-9-3-2-4-11(13(9)16)15(17,18)19/h2-4,10,12,22H,5-8H2,1H3,(H,20,23)/t10-,12+/m1/s1
InChIKeyHMNDCJHPNXDFKJ-PWSUYJOCSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
CID 157014449
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822152
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 59252117
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131925071
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2-(18F)fluoroethyl)-5-oxopyrrolidine-2-carboxamide
CID 162536141
(4R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 68600659
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(3-fluoropropyl)-5-oxopyrrolidine-2-carboxamide
CID 146522846

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (CID 157020423) is (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is CN1CC[C@H](O)[C@H](C(=O)NCc2cccc(C(F)(F)F)c2F)C1.
What is the InChIKey of (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The InChIKey is HMNDCJHPNXDFKJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18F4N2O2/c1-21-6-5-12(22)10(8-21)14(23)20-7-9-3-2-4-11(13(9)16)15(17,18)19/h2-4,10,12,22H,5-8H2,1H3,(H,20,23)/t10-,12+/m1/s1.
What are the key properties of (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide has a molecular weight of 334.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 157020423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).