cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

C21H28N2O3 — CID 8944781

About cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (PubChem CID 8944781) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
• PubChem CID: 8944781
• Molecular Formula: C21H28N2O3
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.21
• IUPAC Name: cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
• SMILES: O=C([C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1)N1CCCCC1
• InChI: InChI=1S/C21H28N2O3/c24-20(16-9-3-1-4-10-16)23-15-19(21(25)22-13-7-2-8-14-22)26-18-12-6-5-11-17(18)23/h5-6,11-12,16,19H,1-4,7-10,13-15H2/t19-/m1/s1
• InChIKey: UFBBFLFVGXINDF-LJQANCHMSA-N
• XLogP: 3.37
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?

The IUPAC name of cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (CID 8944781) is cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

What is the SMILES notation for cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?

The canonical SMILES for cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is O=C([C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1)N1CCCCC1.

What is the InChIKey of cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?

The InChIKey is UFBBFLFVGXINDF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(16-9-3-1-4-10-16)23-15-19(21(25)22-13-7-2-8-14-22)26-18-12-6-5-11-17(18)23/h5-6,11-12,16,19H,1-4,7-10,13-15H2/t19-/m1/s1.

What are the key properties of cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?

cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is sourced from PubChem (CID 8944781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).