1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

C28H31FN4O3 — CID 125127707

About 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 125127707) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
• PubChem CID: 125127707
• Molecular Formula: C28H31FN4O3
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.24
• IUPAC Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(CCNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)cc1
• InChI: InChI=1S/C28H31FN4O3/c1-19-2-4-20(5-3-19)10-13-30-27(34)22-11-14-32(15-12-22)28(35)26-24-17-36-25(16-33(24)18-31-26)21-6-8-23(29)9-7-21/h2-9,18,22,25H,10-17H2,1H3,(H,30,34)/t25-/m1/s1
• InChIKey: OWLBIRYFZPYSFH-RUZDIDTESA-N
• XLogP: 3.81
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 125127707) is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(CCNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)cc1.

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

The InChIKey is OWLBIRYFZPYSFH-RUZDIDTESA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-19-2-4-20(5-3-19)10-13-30-27(34)22-11-14-32(15-12-22)28(35)26-24-17-36-25(16-33(24)18-31-26)21-6-8-23(29)9-7-21/h2-9,18,22,25H,10-17H2,1H3,(H,30,34)/t25-/m1/s1.

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

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 125127707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).