(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide

C16H21F3N2O2 — CID 120630295

IUPAC(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCN1
InChIInChI=1S/C16H21F3N2O2/c1-11-9-12(7-8-20-11)14(22)21-10-15(23,16(17,18)19)13-5-3-2-4-6-13/h2-6,11-12,20,23H,7-10H2,1H3,(H,21,22)/t11-,12-,15?/m0/s1
InChIKeyMWBHBUDKTWWVGE-GYZKLXCISA-N
MW330.35 g/mol
LogP1.94
Rot. Bonds4

About (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 120630295) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
PubChem CID120630295
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCN1
InChIInChI=1S/C16H21F3N2O2/c1-11-9-12(7-8-20-11)14(22)21-10-15(23,16(17,18)19)13-5-3-2-4-6-13/h2-6,11-12,20,23H,7-10H2,1H3,(H,21,22)/t11-,12-,15?/m0/s1
InChIKeyMWBHBUDKTWWVGE-GYZKLXCISA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methyl-2-phenylpropyl)piperidine-4-carboxamide
CID 106739532
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
(2S,4S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120628514
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633673
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide (CID 120630295) is (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is MWBHBUDKTWWVGE-GYZKLXCISA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11-9-12(7-8-20-11)14(22)21-10-15(23,16(17,18)19)13-5-3-2-4-6-13/h2-6,11-12,20,23H,7-10H2,1H3,(H,21,22)/t11-,12-,15?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 120630295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).