N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C28H32N4O4 — CID 99744625

About N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744625) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 99744625
• Molecular Formula: C28H32N4O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.24
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• SMILES: COc1ccccc1CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(C)cc2)C3)CC1
• InChI: InChI=1S/C28H32N4O4/c1-19-7-9-20(10-8-19)25-16-32-18-30-26(23(32)17-36-25)28(34)31-13-11-21(12-14-31)27(33)29-15-22-5-3-4-6-24(22)35-2/h3-10,18,21,25H,11-17H2,1-2H3,(H,29,33)/t25-/m0/s1
• InChIKey: DPAKFEAIBPBRSS-VWLOTQADSA-N
• XLogP: 3.64
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 99744625) is N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(C)cc2)C3)CC1.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The InChIKey is DPAKFEAIBPBRSS-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19-7-9-20(10-8-19)25-16-32-18-30-26(23(32)17-36-25)28(34)31-13-11-21(12-14-31)27(33)29-15-22-5-3-4-6-24(22)35-2/h3-10,18,21,25H,11-17H2,1-2H3,(H,29,33)/t25-/m0/s1.

What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).