N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride

C15H20ClF3N2O — CID 119473934

IUPACN-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(12-3-2-8-19-9-12)20-14(21)11-4-6-13(7-5-11)15(16,17)18;/h4-7,10,12,19H,2-3,8-9H2,1H3,(H,20,21);1H
InChIKeyAEXXCQLIYSWGMQ-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.25
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride

N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119473934) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119473934
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC NameN-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(12-3-2-8-19-9-12)20-14(21)11-4-6-13(7-5-11)15(16,17)18;/h4-7,10,12,19H,2-3,8-9H2,1H3,(H,20,21);1H
InChIKeyAEXXCQLIYSWGMQ-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119473992
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
2-oxo-N-(1-piperidin-3-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119474020
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride (CID 119473934) is N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride is CC(NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is AEXXCQLIYSWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-10(12-3-2-8-19-9-12)20-14(21)11-4-6-13(7-5-11)15(16,17)18;/h4-7,10,12,19H,2-3,8-9H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119473934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).