2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C16H21F3N2O2 — CID 70917011

IUPAC2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)CO)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-20(15(23)11-22)14-5-7-21(8-6-14)10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,14,22H,5-8,10-11H2,1H3
InChIKeyZTZYOFLGJYHFBG-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.12
Rot. Bonds4

About 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 70917011) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID70917011
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)CO)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-20(15(23)11-22)14-5-7-21(8-6-14)10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,14,22H,5-8,10-11H2,1H3
InChIKeyZTZYOFLGJYHFBG-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone
CID 3232667
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 3232922
1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3234384
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[2-hydroxyethyl(hydroxymethyl)amino]piperidin-1-yl]-N-methyl-2-phenylacetamide
CID 44215500
1-[9-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxyethanone
CID 3232601
(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
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-Acetyl-4-[4-fluoro-3-(trifluoromethyl)benzyl]-1,4-diazepan-6-ol
CID 70716248

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 70917011) is 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is CN(C(=O)CO)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ZTZYOFLGJYHFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-20(15(23)11-22)14-5-7-21(8-6-14)10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,14,22H,5-8,10-11H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-hydroxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.12, 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-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 70917011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).