1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C25H35N5O4 — CID 134077189

About 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 134077189) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• PubChem CID: 134077189
• Molecular Formula: C25H35N5O4
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.27
• IUPAC Name: 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• SMILES: COc1ccc(CN2CCC3(CC2)OC(C(=O)NCCN2CCOCC2)Cn2ccnc23)cc1
• InChI: InChI=1S/C25H35N5O4/c1-32-21-4-2-20(3-5-21)18-29-10-6-25(7-11-29)24-27-9-13-30(24)19-22(34-25)23(31)26-8-12-28-14-16-33-17-15-28/h2-5,9,13,22H,6-8,10-12,14-19H2,1H3,(H,26,31)
• InChIKey: OXZYBIWKTNDUAB-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 81.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The IUPAC name of 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 134077189) is 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

What is the SMILES notation for 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is COc1ccc(CN2CCC3(CC2)OC(C(=O)NCCN2CCOCC2)Cn2ccnc23)cc1.

What is the InChIKey of 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The InChIKey is OXZYBIWKTNDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-32-21-4-2-20(3-5-21)18-29-10-6-25(7-11-29)24-27-9-13-30(24)19-22(34-25)23(31)26-8-12-28-14-16-33-17-15-28/h2-5,9,13,22H,6-8,10-12,14-19H2,1H3,(H,26,31).

What are the key properties of 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 134077189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).