(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride

C23H25ClF6N2O — CID 87762016

About (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride

(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 87762016) has the molecular formula C23H25ClF6N2O and a molecular weight of 494.91 g/mol. Its IUPAC name is (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 87762016
• Molecular Formula: C23H25ClF6N2O
• Molecular Weight: 494.91 g/mol
• Exact Mass: 494.16
• IUPAC Name: (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
• SMILES: Cc1cccc([C@@H]2CNCC[C@H]2C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cl
• InChI: InChI=1S/C23H24F6N2O.ClH/c1-14-4-3-5-16(8-14)20-12-30-7-6-19(20)21(32)31(2)13-15-9-17(22(24,25)26)11-18(10-15)23(27,28)29;/h3-5,8-11,19-20,30H,6-7,12-13H2,1-2H3;1H/t19-,20+;/m1./s1
• InChIKey: PUOHMBRAOKVMOP-FDOHDBATSA-N
• XLogP: 5.81
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.91
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride (CID 87762016) is (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride is Cc1cccc([C@@H]2CNCC[C@H]2C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cl.

What is the InChIKey of (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The InChIKey is PUOHMBRAOKVMOP-FDOHDBATSA-N. The full InChI is InChI=1S/C23H24F6N2O.ClH/c1-14-4-3-5-16(8-14)20-12-30-7-6-19(20)21(32)31(2)13-15-9-17(22(24,25)26)11-18(10-15)23(27,28)29;/h3-5,8-11,19-20,30H,6-7,12-13H2,1-2H3;1H/t19-,20+;/m1./s1.

What are the key properties of (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?

(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 494.91 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 87762016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).