1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C27H29ClN4O3 — CID 99744369

About 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 99744369) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
• PubChem CID: 99744369
• Molecular Formula: C27H29ClN4O3
• Molecular Weight: 493.01 g/mol
• Exact Mass: 492.19
• IUPAC Name: 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
• SMILES: O=C(NCCc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1
• InChI: InChI=1S/C27H29ClN4O3/c28-22-8-6-20(7-9-22)24-16-32-18-30-25(23(32)17-35-24)27(34)31-14-11-21(12-15-31)26(33)29-13-10-19-4-2-1-3-5-19/h1-9,18,21,24H,10-17H2,(H,29,33)/t24-/m0/s1
• InChIKey: LCILIMQHNXHPHG-DEOSSOPVSA-N
• XLogP: 4.02
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.01
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 99744369) is 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1.

What is the InChIKey of 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?

The InChIKey is LCILIMQHNXHPHG-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c28-22-8-6-20(7-9-22)24-16-32-18-30-25(23(32)17-35-24)27(34)31-14-11-21(12-15-31)26(33)29-13-10-19-4-2-1-3-5-19/h1-9,18,21,24H,10-17H2,(H,29,33)/t24-/m0/s1.

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

1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 99744369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).