N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide

C16H21F3N2O2 — CID 171361782

IUPACN-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)c(C2CCNCC2)c1
InChIInChI=1S/C16H21F3N2O2/c1-23-9-8-21-15(22)12-2-3-14(16(17,18)19)13(10-12)11-4-6-20-7-5-11/h2-3,10-11,20H,4-9H2,1H3,(H,21,22)
InChIKeyHXZLAFZCNUKGBE-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.55
Rot. Bonds5

About N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide (PubChem CID 171361782) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
PubChem CID171361782
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)c(C2CCNCC2)c1
InChIInChI=1S/C16H21F3N2O2/c1-23-9-8-21-15(22)12-2-3-14(16(17,18)19)13(10-12)11-4-6-20-7-5-11/h2-3,10-11,20H,4-9H2,1H3,(H,21,22)
InChIKeyHXZLAFZCNUKGBE-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785
N-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920
3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 172647473
N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171361801
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107728729
9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid
CID 67983888

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide (CID 171361782) is N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide is COCCNC(=O)c1ccc(C(F)(F)F)c(C2CCNCC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide?
The InChIKey is HXZLAFZCNUKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-23-9-8-21-15(22)12-2-3-14(16(17,18)19)13(10-12)11-4-6-20-7-5-11/h2-3,10-11,20H,4-9H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide?
N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 171361782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).