1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

C27H28F2N4O3 — CID 99744304

About 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 99744304) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
• PubChem CID: 99744304
• Molecular Formula: C27H28F2N4O3
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.21
• IUPAC Name: 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
• SMILES: C[C@@H](NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)c1ccc(F)cc1
• InChI: InChI=1S/C27H28F2N4O3/c1-17(18-2-6-21(28)7-3-18)31-26(34)20-10-12-32(13-11-20)27(35)25-23-15-36-24(14-33(23)16-30-25)19-4-8-22(29)9-5-19/h2-9,16-17,20,24H,10-15H2,1H3,(H,31,34)/t17-,24+/m1/s1
• InChIKey: WEMIMZOXTRHGFH-OSPHWJPCSA-N
• XLogP: 4.16
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 99744304) is 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)c1ccc(F)cc1.

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

The InChIKey is WEMIMZOXTRHGFH-OSPHWJPCSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-17(18-2-6-21(28)7-3-18)31-26(34)20-10-12-32(13-11-20)27(35)25-23-15-36-24(14-33(23)16-30-25)19-4-8-22(29)9-5-19/h2-9,16-17,20,24H,10-15H2,1H3,(H,31,34)/t17-,24+/m1/s1.

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

1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).