N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide

C27H29F6N5O4 — CID 87203211

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 87203211) has the molecular formula C27H29F6N5O4 and a molecular weight of 601.55 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide
• PubChem CID: 87203211
• Molecular Formula: C27H29F6N5O4
• Molecular Weight: 601.55 g/mol
• Exact Mass: 601.21
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide
• SMILES: CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(N(CCN3CCCCC3)C(=O)C(F)(F)F)c2)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C27H29F6N5O4/c1-25(2)22(39)38(24(41)37(25)17-18-8-10-34-11-9-18)19-6-7-21(42-27(31,32)33)20(16-19)36(23(40)26(28,29)30)15-14-35-12-4-3-5-13-35/h6-11,16H,3-5,12-15,17H2,1-2H3
• InChIKey: XKWLBYRDDSDOAU-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 86.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.55
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide (CID 87203211) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide.

What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(N(CCN3CCCCC3)C(=O)C(F)(F)F)c2)C(=O)N1Cc1ccncc1.

What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide?

The InChIKey is XKWLBYRDDSDOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F6N5O4/c1-25(2)22(39)38(24(41)37(25)17-18-8-10-34-11-9-18)19-6-7-21(42-27(31,32)33)20(16-19)36(23(40)26(28,29)30)15-14-35-12-4-3-5-13-35/h6-11,16H,3-5,12-15,17H2,1-2H3.

What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 601.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 87203211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).