N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C16H20F4N2O2 — CID 97334282

IUPACN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC(O)(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C16H20F4N2O2/c1-10-3-4-12(9-13(10)17)11(2)21-14(23)22-7-5-15(24,6-8-22)16(18,19)20/h3-4,9,11,24H,5-8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyDJHHHMSDNXCIRG-LLVKDONJSA-N
MW348.34 g/mol
LogP3.29
Rot. Bonds2

About N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334282) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334282
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC NameN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC(O)(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C16H20F4N2O2/c1-10-3-4-12(9-13(10)17)11(2)21-14(23)22-7-5-15(24,6-8-22)16(18,19)20/h3-4,9,11,24H,5-8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyDJHHHMSDNXCIRG-LLVKDONJSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334282) is N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is Cc1ccc([C@@H](C)NC(=O)N2CCC(O)(C(F)(F)F)CC2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is DJHHHMSDNXCIRG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-10-3-4-12(9-13(10)17)11(2)21-14(23)22-7-5-15(24,6-8-22)16(18,19)20/h3-4,9,11,24H,5-8H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).