N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride

C14H18ClF3N2O2 — CID 120567149

IUPACN-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-13(6-8-18-9-7-13)19-12(20)10-2-4-11(5-3-10)21-14(15,16)17;/h2-5,18H,6-9H2,1H3,(H,19,20);1H
InChIKeyOSOCGFIILZNTJM-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.88
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride

N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 120567149) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID120567149
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-13(6-8-18-9-7-13)19-12(20)10-2-4-11(5-3-10)21-14(15,16)17;/h2-5,18H,6-9H2,1H3,(H,19,20);1H
InChIKeyOSOCGFIILZNTJM-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride (CID 120567149) is N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride is CC1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCNCC1.Cl.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is OSOCGFIILZNTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c1-13(6-8-18-9-7-13)19-12(20)10-2-4-11(5-3-10)21-14(15,16)17;/h2-5,18H,6-9H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride?
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 120567149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).