N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride

C15H20ClF3N2O — CID 119473992

IUPACN-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1C(F)(F)F)C1CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(11-5-4-8-19-9-11)20-14(21)12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21);1H
InChIKeyDSGKYRFYXHWEKY-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.25
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride

N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119473992) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119473992
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC NameN-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1C(F)(F)F)C1CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(11-5-4-8-19-9-11)20-14(21)12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21);1H
InChIKeyDSGKYRFYXHWEKY-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

2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride (CID 119473992) is N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride is CC(NC(=O)c1ccccc1C(F)(F)F)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is DSGKYRFYXHWEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-10(11-5-4-8-19-9-11)20-14(21)12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-2-(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)-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119473992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).