N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

C17H24ClF3N2O2 — CID 171393396

IUPACN-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC(C)CNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-11(2)10-22-16(23)14-9-13(12-5-7-21-8-6-12)3-4-15(14)24-17(18,19)20;/h3-4,9,11-12,21H,5-8,10H2,1-2H3,(H,22,23);1H
InChIKeyBEMCKJPYQGLYKK-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.86
Rot. Bonds5

About N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 171393396) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID171393396
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC NameN-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC(C)CNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-11(2)10-22-16(23)14-9-13(12-5-7-21-8-6-12)3-4-15(14)24-17(18,19)20;/h3-4,9,11-12,21H,5-8,10H2,1-2H3,(H,22,23);1H
InChIKeyBEMCKJPYQGLYKK-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393398
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
3-piperidin-4-yl-N-propan-2-yl-5-(trifluoromethoxy)benzamide;hydrochloride
CID 166176261
methyl 2-methyl-2-[4-piperidin-4-yl-2-(trifluoromethyl)phenoxy]propanoate
CID 170758902
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001211
ethane;methyl 4-piperidin-4-yl-2-(trifluoromethyl)benzoate
CID 170758523
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (CID 171393396) is N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is CC(C)CNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl.
What is the InChIKey of N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is BEMCKJPYQGLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c1-11(2)10-22-16(23)14-9-13(12-5-7-21-8-6-12)3-4-15(14)24-17(18,19)20;/h3-4,9,11-12,21H,5-8,10H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 171393396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).