1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C29H34N4O3 — CID 99744394

About 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 99744394) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 99744394
• Molecular Formula: C29H34N4O3
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.26
• IUPAC Name: 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CC(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1
• InChI: InChI=1S/C29H34N4O3/c1-20(2)22-10-8-21(9-11-22)16-30-28(34)24-12-14-32(15-13-24)29(35)27-25-18-36-26(17-33(25)19-31-27)23-6-4-3-5-7-23/h3-11,19-20,24,26H,12-18H2,1-2H3,(H,30,34)/t26-/m1/s1
• InChIKey: XLTIUCZOXNTASE-AREMUKBSSA-N
• XLogP: 4.45
• 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	486.62
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 99744394) is 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1.

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

The InChIKey is XLTIUCZOXNTASE-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-20(2)22-10-8-21(9-11-22)16-30-28(34)24-12-14-32(15-13-24)29(35)27-25-18-36-26(17-33(25)19-31-27)23-6-4-3-5-7-23/h3-11,19-20,24,26H,12-18H2,1-2H3,(H,30,34)/t26-/m1/s1.

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

1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).