[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone

C24H36N4O2 — CID 131697206

About [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone

[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone (PubChem CID 131697206) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone.

Molecular Properties

• Compound Name: [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone
• PubChem CID: 131697206
• Molecular Formula: C24H36N4O2
• Molecular Weight: 412.58 g/mol
• Exact Mass: 412.28
• IUPAC Name: [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone
• SMILES: CN(Cc1cnc2n1CCOC21CCN(C(=O)C2(C)CC=CCC2)CC1)CC1CC1
• InChI: InChI=1S/C24H36N4O2/c1-23(8-4-3-5-9-23)22(29)27-12-10-24(11-13-27)21-25-16-20(28(21)14-15-30-24)18-26(2)17-19-6-7-19/h3-4,16,19H,5-15,17-18H2,1-2H3
• InChIKey: BZIOPGLZMXUUIZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.58
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone?

The IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone (CID 131697206) is [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone.

What is the SMILES notation for [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone?

The canonical SMILES for [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone is CN(Cc1cnc2n1CCOC21CCN(C(=O)C2(C)CC=CCC2)CC1)CC1CC1.

What is the InChIKey of [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone?

The InChIKey is BZIOPGLZMXUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-23(8-4-3-5-9-23)22(29)27-12-10-24(11-13-27)21-25-16-20(28(21)14-15-30-24)18-26(2)17-19-6-7-19/h3-4,16,19H,5-15,17-18H2,1-2H3.

What are the key properties of [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone?

[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone has a molecular weight of 412.58 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-(1-methylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 131697206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).