N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide

C27H35F3N4O3 — CID 59053966

About N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide

N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide (PubChem CID 59053966) has the molecular formula C27H35F3N4O3 and a molecular weight of 520.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide
• PubChem CID: 59053966
• Molecular Formula: C27H35F3N4O3
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.27
• IUPAC Name: N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(=O)N(C)C)ccc1OC(C)C
• InChI: InChI=1S/C27H35F3N4O3/c1-18(2)37-21-7-6-20(16-19(21)3)25(36)32-12-10-26(11-13-32)22-8-9-23(27(28,29)30)34(22)15-14-33(26)17-24(35)31(4)5/h6-9,16,18H,10-15,17H2,1-5H3
• InChIKey: KUHNUZRDIZBKIS-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 58.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.60
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide (CID 59053966) is N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide is Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(=O)N(C)C)ccc1OC(C)C.

What is the InChIKey of N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide?

The InChIKey is KUHNUZRDIZBKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4O3/c1-18(2)37-21-7-6-20(16-19(21)3)25(36)32-12-10-26(11-13-32)22-8-9-23(27(28,29)30)34(22)15-14-33(26)17-24(35)31(4)5/h6-9,16,18H,10-15,17H2,1-5H3.

What are the key properties of N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide?

N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide has a molecular weight of 520.60 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[1'-(3-methyl-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]acetamide is sourced from PubChem (CID 59053966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).