N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C30H36F6N2O2 — CID 10281470

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 10281470) has the molecular formula C30H36F6N2O2 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
• PubChem CID: 10281470
• Molecular Formula: C30H36F6N2O2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.27
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
• SMILES: CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CCC(O)(c3ccccc3)CC2)C1
• InChI: InChI=1S/C30H36F6N2O2/c1-20(2)17-27(26(39)37-19-21-14-23(29(31,32)33)16-24(15-21)30(34,35)36)9-8-25(18-27)38-12-10-28(40,11-13-38)22-6-4-3-5-7-22/h3-7,14-16,20,25,40H,8-13,17-19H2,1-2H3,(H,37,39)
• InChIKey: BRKPUOQPWZUZHQ-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 10281470) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CCC(O)(c3ccccc3)CC2)C1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?

The InChIKey is BRKPUOQPWZUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F6N2O2/c1-20(2)17-27(26(39)37-19-21-14-23(29(31,32)33)16-24(15-21)30(34,35)36)9-8-25(18-27)38-12-10-28(40,11-13-38)22-6-4-3-5-7-22/h3-7,14-16,20,25,40H,8-13,17-19H2,1-2H3,(H,37,39).

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10281470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).