1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

About 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 99744650) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name	1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID	99744650
Molecular Formula	C29H34N4O3
Molecular Weight	486.62 g/mol
Exact Mass	486.26
IUPAC Name	1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILES	Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCCCc5ccccc5)CC4)c3CO2)cc1
InChI	InChI=1S/C29H34N4O3/c1-21-9-11-23(12-10-21)26-18-33-20-31-27(25(33)19-36-26)29(35)32-16-13-24(14-17-32)28(34)30-15-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-12,20,24,26H,5,8,13-19H2,1H3,(H,30,34)/t26-/m0/s1
InChIKey	HHESYOIGWRFJBL-SANMLTNESA-N
XLogP	4.06
TPSA	76.46 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?

The IUPAC name of 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 99744650) is 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCCCc5ccccc5)CC4)c3CO2)cc1.

What is the InChIKey of 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?

The InChIKey is HHESYOIGWRFJBL-SANMLTNESA-N. The full InChI is InChI=1S/C29H34N4O3/c1-21-9-11-23(12-10-21)26-18-33-20-31-27(25(33)19-36-26)29(35)32-16-13-24(14-17-32)28(34)30-15-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-12,20,24,26H,5,8,13-19H2,1H3,(H,30,34)/t26-/m0/s1.

What are the key properties of 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?

1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 99744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).