N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C28H34F3N3O4 — CID 171684762

About N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 171684762) has the molecular formula C28H34F3N3O4 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 171684762
• Molecular Formula: C28H34F3N3O4
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.25
• IUPAC Name: N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: COc1ccc(C)c(C(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)c1
• InChI: InChI=1S/C28H34F3N3O4/c1-19-3-6-24(37-2)18-25(19)27(36)34-15-11-22(12-16-34)33-13-9-21(10-14-33)32-26(35)17-20-4-7-23(8-5-20)38-28(29,30)31/h3-8,18,21-22H,9-17H2,1-2H3,(H,32,35)
• InChIKey: RLISITPVZKWADC-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 171684762) is N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

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

The canonical SMILES for N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc(C)c(C(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)c1.

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

The InChIKey is RLISITPVZKWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O4/c1-19-3-6-24(37-2)18-25(19)27(36)34-15-11-22(12-16-34)33-13-9-21(10-14-33)32-26(35)17-20-4-7-23(8-5-20)38-28(29,30)31/h3-8,18,21-22H,9-17H2,1-2H3,(H,32,35).

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

N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 533.59 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 171684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).