N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide

C17H22F3N3O2 — CID 27100580

IUPACN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCCCC1
InChIInChI=1S/C17H22F3N3O2/c1-22(16(25)12-23-9-5-2-6-10-23)11-15(24)21-14-8-4-3-7-13(14)17(18,19)20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24)
InChIKeyLADBJFUNYQXWPD-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide (PubChem CID 27100580) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
PubChem CID27100580
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCCCC1
InChIInChI=1S/C17H22F3N3O2/c1-22(16(25)12-23-9-5-2-6-10-23)11-15(24)21-14-8-4-3-7-13(14)17(18,19)20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24)
InChIKeyLADBJFUNYQXWPD-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30287064
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098428
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 155949287
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide (CID 27100580) is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCCCC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide?
The InChIKey is LADBJFUNYQXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-22(16(25)12-23-9-5-2-6-10-23)11-15(24)21-14-8-4-3-7-13(14)17(18,19)20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,24).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide?
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide has a molecular weight of 357.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 27100580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).