N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide

C24H24F6N2O3 — CID 58718525

About N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide

N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide (PubChem CID 58718525) has the molecular formula C24H24F6N2O3 and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide
• PubChem CID: 58718525
• Molecular Formula: C24H24F6N2O3
• Molecular Weight: 502.46 g/mol
• Exact Mass: 502.17
• IUPAC Name: N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide
• SMILES: CC(=O)NC1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O
• InChI: InChI=1S/C24H24F6N2O3/c1-14(16-10-18(23(25,26)27)12-19(11-16)24(28,29)30)35-13-22(17-6-4-3-5-7-17)9-8-20(21(34)32-22)31-15(2)33/h3-7,10-12,14,20H,8-9,13H2,1-2H3,(H,31,33)(H,32,34)/t14-,20?,22-/m1/s1
• InChIKey: IZFWIAIIYWFSEN-BOLFVOFMSA-N
• XLogP: 5.11
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.46
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide?

The IUPAC name of N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide (CID 58718525) is N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide.

What is the SMILES notation for N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide?

The canonical SMILES for N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide is CC(=O)NC1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O.

What is the InChIKey of N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide?

The InChIKey is IZFWIAIIYWFSEN-BOLFVOFMSA-N. The full InChI is InChI=1S/C24H24F6N2O3/c1-14(16-10-18(23(25,26)27)12-19(11-16)24(28,29)30)35-13-22(17-6-4-3-5-7-17)9-8-20(21(34)32-22)31-15(2)33/h3-7,10-12,14,20H,8-9,13H2,1-2H3,(H,31,33)(H,32,34)/t14-,20?,22-/m1/s1.

What are the key properties of N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide?

N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide has a molecular weight of 502.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-6-phenylpiperidin-3-yl]acetamide is sourced from PubChem (CID 58718525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).