N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C28H28F3N3O3 — CID 171683165

About N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 171683165) has the molecular formula C28H28F3N3O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
• PubChem CID: 171683165
• Molecular Formula: C28H28F3N3O3
• Molecular Weight: 511.54 g/mol
• Exact Mass: 511.21
• IUPAC Name: N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
• SMILES: COc1cc(C)cc(C(=O)N2CCC(c3ccc(NC(=O)Cc4cccc(C(F)(F)F)n4)cc3)CC2)c1
• InChI: InChI=1S/C28H28F3N3O3/c1-18-14-21(16-24(15-18)37-2)27(36)34-12-10-20(11-13-34)19-6-8-22(9-7-19)33-26(35)17-23-4-3-5-25(32-23)28(29,30)31/h3-9,14-16,20H,10-13,17H2,1-2H3,(H,33,35)
• InChIKey: KREWFLRTXYFZOH-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.54
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 171683165) is N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is COc1cc(C)cc(C(=O)N2CCC(c3ccc(NC(=O)Cc4cccc(C(F)(F)F)n4)cc3)CC2)c1.

What is the InChIKey of N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?

The InChIKey is KREWFLRTXYFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3/c1-18-14-21(16-24(15-18)37-2)27(36)34-12-10-20(11-13-34)19-6-8-22(9-7-19)33-26(35)17-23-4-3-5-25(32-23)28(29,30)31/h3-9,14-16,20H,10-13,17H2,1-2H3,(H,33,35).

What are the key properties of N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?

N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 511.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 171683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).