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

C25H26FN5O3 — CID 99744704

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

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 99744704) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 99744704
• Molecular Formula: C25H26FN5O3
• Molecular Weight: 463.51 g/mol
• Exact Mass: 463.20
• IUPAC Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1
• InChI: InChI=1S/C25H26FN5O3/c26-19-6-4-17(5-7-19)22-14-31-16-29-23(21(31)15-34-22)25(33)30-11-8-18(9-12-30)24(32)28-13-20-3-1-2-10-27-20/h1-7,10,16,18,22H,8-9,11-15H2,(H,28,32)/t22-/m1/s1
• InChIKey: NXIDCEOZQOLXQI-JOCHJYFZSA-N
• XLogP: 2.86
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.51
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 99744704) is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)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-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The InChIKey is NXIDCEOZQOLXQI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-19-6-4-17(5-7-19)22-14-31-16-29-23(21(31)15-34-22)25(33)30-11-8-18(9-12-30)24(32)28-13-20-3-1-2-10-27-20/h1-7,10,16,18,22H,8-9,11-15H2,(H,28,32)/t22-/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-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 99744704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).