1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate

C22H29F6N5O3 — CID 135384266

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate (PubChem CID 135384266) has the molecular formula C22H29F6N5O3 and a molecular weight of 525.49 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate
• PubChem CID: 135384266
• Molecular Formula: C22H29F6N5O3
• Molecular Weight: 525.49 g/mol
• Exact Mass: 525.22
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate
• SMILES: CN(C(=O)c1cn2c(n1)CN(C1CCC1)CC2)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C22H29F6N5O3/c1-20(6-8-31(9-7-20)19(35)36-18(21(23,24)25)22(26,27)28)30(2)17(34)15-12-33-11-10-32(13-16(33)29-15)14-4-3-5-14/h12,14,18H,3-11,13H2,1-2H3
• InChIKey: KDYUGBHAOJDKQG-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 70.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.49
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate (CID 135384266) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate is CN(C(=O)c1cn2c(n1)CN(C1CCC1)CC2)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate?

The InChIKey is KDYUGBHAOJDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F6N5O3/c1-20(6-8-31(9-7-20)19(35)36-18(21(23,24)25)22(26,27)28)30(2)17(34)15-12-33-11-10-32(13-16(33)29-15)14-4-3-5-14/h12,14,18H,3-11,13H2,1-2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate has a molecular weight of 525.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(7-cyclobutyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 135384266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).