2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide

C15H19F3N2O — CID 52813145

IUPAC2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-5-3-4-11(8-12)10-20-7-2-1-6-13(20)9-14(19)21/h3-5,8,13H,1-2,6-7,9-10H2,(H2,19,21)/t13-/m1/s1
InChIKeyGVSQMMXXGSRBLL-CYBMUJFWSA-N
MW300.32 g/mol
LogP2.94
Rot. Bonds4

About 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide

2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide (PubChem CID 52813145) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
PubChem CID52813145
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-5-3-4-11(8-12)10-20-7-2-1-6-13(20)9-14(19)21/h3-5,8,13H,1-2,6-7,9-10H2,(H2,19,21)/t13-/m1/s1
InChIKeyGVSQMMXXGSRBLL-CYBMUJFWSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
CID 52506806
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
CID 95330469
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 144887966
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
CID 79547050
2-[1-[[4-(benzimidazol-1-yl)phenyl]methyl]piperidin-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 167812169
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide (CID 52813145) is 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide?
The InChIKey is GVSQMMXXGSRBLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-5-3-4-11(8-12)10-20-7-2-1-6-13(20)9-14(19)21/h3-5,8,13H,1-2,6-7,9-10H2,(H2,19,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 52813145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).