1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C21H28N6O3 — CID 131658245

About 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131658245) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• PubChem CID: 131658245
• Molecular Formula: C21H28N6O3
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.22
• IUPAC Name: 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• SMILES: CN(C)C(=O)CN1CCC2(CC1)OC(C(=O)NCc1ccccn1)Cn1ccnc12
• InChI: InChI=1S/C21H28N6O3/c1-25(2)18(28)15-26-10-6-21(7-11-26)20-23-9-12-27(20)14-17(30-21)19(29)24-13-16-5-3-4-8-22-16/h3-5,8-9,12,17H,6-7,10-11,13-15H2,1-2H3,(H,24,29)
• InChIKey: LHOJGDVDHOBQBH-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The IUPAC name of 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131658245) is 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

What is the SMILES notation for 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The canonical SMILES for 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)C(=O)CN1CCC2(CC1)OC(C(=O)NCc1ccccn1)Cn1ccnc12.

What is the InChIKey of 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The InChIKey is LHOJGDVDHOBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-25(2)18(28)15-26-10-6-21(7-11-26)20-23-9-12-27(20)14-17(30-21)19(29)24-13-16-5-3-4-8-22-16/h3-5,8-9,12,17H,6-7,10-11,13-15H2,1-2H3,(H,24,29).

What are the key properties of 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131658245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).