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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427810
(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 97242091
1-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 146136990
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
1-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124004
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
N-[(1S)-2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 2331449
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695

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).