(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C24H28N4O3S — CID 97360658

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

(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360658) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• PubChem CID: 97360658
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• SMILES: COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cccs4)CC3)O2)c1
• InChI: InChI=1S/C24H28N4O3S/c1-30-19-5-2-4-18(14-19)15-26-22(29)21-17-28-12-9-25-23(28)24(31-21)7-10-27(11-8-24)16-20-6-3-13-32-20/h2-6,9,12-14,21H,7-8,10-11,15-17H2,1H3,(H,26,29)/t21-/m1/s1
• InChIKey: RUDDYENZKRELOZ-OAQYLSRUSA-N
• XLogP: 3.16
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360658) is (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

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

The canonical SMILES for (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cccs4)CC3)O2)c1.

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

The InChIKey is RUDDYENZKRELOZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-30-19-5-2-4-18(14-19)15-26-22(29)21-17-28-12-9-25-23(28)24(31-21)7-10-27(11-8-24)16-20-6-3-13-32-20/h2-6,9,12-14,21H,7-8,10-11,15-17H2,1H3,(H,26,29)/t21-/m1/s1.

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

(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).