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

C26H29N5O4 — CID 99744606

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

1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 99744606) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 99744606
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• SMILES: COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCc5ccncc5)CC4)c3CO2)cc1
• InChI: InChI=1S/C26H29N5O4/c1-34-21-4-2-19(3-5-21)23-15-31-17-29-24(22(31)16-35-23)26(33)30-12-8-20(9-13-30)25(32)28-14-18-6-10-27-11-7-18/h2-7,10-11,17,20,23H,8-9,12-16H2,1H3,(H,28,32)/t23-/m0/s1
• InChIKey: VLYCBEJCADWGQN-QHCPKHFHSA-N
• XLogP: 2.73
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 99744606) is 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCc5ccncc5)CC4)c3CO2)cc1.

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

The InChIKey is VLYCBEJCADWGQN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-34-21-4-2-19(3-5-21)23-15-31-17-29-24(22(31)16-35-23)26(33)30-12-8-20(9-13-30)25(32)28-14-18-6-10-27-11-7-18/h2-7,10-11,17,20,23H,8-9,12-16H2,1H3,(H,28,32)/t23-/m0/s1.

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

1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 99744606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).