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

C16H22ClF3N2O2 — CID 166001167

IUPAC4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(C2CCNCC2)cc1OC(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(2)21-15(22)13-4-3-12(11-5-7-20-8-6-11)9-14(13)23-16(17,18)19;/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,22);1H
InChIKeyPVSRPNDDFKPHJZ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.61
Rot. Bonds4

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

4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 166001167) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID166001167
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(C2CCNCC2)cc1OC(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(2)21-15(22)13-4-3-12(11-5-7-20-8-6-11)9-14(13)23-16(17,18)19;/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,22);1H
InChIKeyPVSRPNDDFKPHJZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride (CID 166001167) is 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride is CC(C)NC(=O)c1ccc(C2CCNCC2)cc1OC(F)(F)F.Cl.
What is the InChIKey of 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is PVSRPNDDFKPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-10(2)21-15(22)13-4-3-12(11-5-7-20-8-6-11)9-14(13)23-16(17,18)19;/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 166001167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).