2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide

C15H19F3N2O2 — CID 70917035

IUPAC2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)CO)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-19(14(22)9-21)11-2-4-20(5-3-11)8-10-6-12(16)15(18)13(17)7-10/h6-7,11,21H,2-5,8-9H2,1H3
InChIKeyCKJSZXSFRCXEQM-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.52
Rot. Bonds4

About 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide

2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 70917035) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID70917035
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)CO)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-19(14(22)9-21)11-2-4-20(5-3-11)8-10-6-12(16)15(18)13(17)7-10/h6-7,11,21H,2-5,8-9H2,1H3
InChIKeyCKJSZXSFRCXEQM-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
(2R)-1-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10687855
N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
(2R)-1-[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10688803
(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10805348
3-{[Cyclohexyl(methyl)amino]methyl}-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45200407
N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51076668
N-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 53612295
N-[(4-fluorophenyl)methyl]-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 53625300
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56715410

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide (CID 70917035) is 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide is CN(C(=O)CO)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is CKJSZXSFRCXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-19(14(22)9-21)11-2-4-20(5-3-11)8-10-6-12(16)15(18)13(17)7-10/h6-7,11,21H,2-5,8-9H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 70917035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).