(3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride

C32H37ClF7N3O2 — CID 87762899

About (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride

(3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 87762899) has the molecular formula C32H37ClF7N3O2 and a molecular weight of 664.11 g/mol. Its IUPAC name is (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 87762899
• Molecular Formula: C32H37ClF7N3O2
• Molecular Weight: 664.11 g/mol
• Exact Mass: 663.25
• IUPAC Name: (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
• SMILES: CC(=O)N1CCC(N2CC[C@@H](C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C3CC3)[C@H](c3ccc(F)cc3C)C2)CC1.Cl
• InChI: InChI=1S/C32H36F7N3O2.ClH/c1-19-13-24(33)3-6-27(19)29-18-41(25-7-10-40(11-8-25)20(2)43)12-9-28(29)30(44)42(26-4-5-26)17-21-14-22(31(34,35)36)16-23(15-21)32(37,38)39;/h3,6,13-16,25-26,28-29H,4-5,7-12,17-18H2,1-2H3;1H/t28-,29+;/m1./s1
• InChIKey: CHTYNWAROZSXMK-XZVFQGBBSA-N
• XLogP: 7.20
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.11
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride (CID 87762899) is (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride is CC(=O)N1CCC(N2CC[C@@H](C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C3CC3)[C@H](c3ccc(F)cc3C)C2)CC1.Cl.

What is the InChIKey of (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?

The InChIKey is CHTYNWAROZSXMK-XZVFQGBBSA-N. The full InChI is InChI=1S/C32H36F7N3O2.ClH/c1-19-13-24(33)3-6-27(19)29-18-41(25-7-10-40(11-8-25)20(2)43)12-9-28(29)30(44)42(26-4-5-26)17-21-14-22(31(34,35)36)16-23(15-21)32(37,38)39;/h3,6,13-16,25-26,28-29H,4-5,7-12,17-18H2,1-2H3;1H/t28-,29+;/m1./s1.

What are the key properties of (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?

(3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 664.11 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-(1-acetylpiperidin-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 87762899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).