(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C25H27N5O4 — CID 97360739

About (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360739) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• PubChem CID: 97360739
• Molecular Formula: C25H27N5O4
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.21
• IUPAC Name: (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• SMILES: COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccnc4)CC3)O2)cc1
• InChI: InChI=1S/C25H27N5O4/c1-33-20-6-4-18(5-7-20)15-28-22(31)21-17-30-14-11-27-24(30)25(34-21)8-12-29(13-9-25)23(32)19-3-2-10-26-16-19/h2-7,10-11,14,16,21H,8-9,12-13,15,17H2,1H3,(H,28,31)/t21-/m0/s1
• InChIKey: RFZRSSSXJQELHA-NRFANRHFSA-N
• XLogP: 2.13
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The IUPAC name of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360739) is (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

What is the SMILES notation for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The canonical SMILES for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccnc4)CC3)O2)cc1.

What is the InChIKey of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The InChIKey is RFZRSSSXJQELHA-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-33-20-6-4-18(5-7-20)15-28-22(31)21-17-30-14-11-27-24(30)25(34-21)8-12-29(13-9-25)23(32)19-3-2-10-26-16-19/h2-7,10-11,14,16,21H,8-9,12-13,15,17H2,1H3,(H,28,31)/t21-/m0/s1.

What are the key properties of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).