4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

C28H41N3O4 — CID 66888915

About 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66888915) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
• PubChem CID: 66888915
• Molecular Formula: C28H41N3O4
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.31
• IUPAC Name: 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
• SMILES: COCCCc1cn(C)c2ccc(CC(CC3NC(=O)OC3CN3CCCCC3=O)C(C)C)cc12
• InChI: InChI=1S/C28H41N3O4/c1-19(2)22(16-24-26(35-28(33)29-24)18-31-12-6-5-9-27(31)32)14-20-10-11-25-23(15-20)21(17-30(25)3)8-7-13-34-4/h10-11,15,17,19,22,24,26H,5-9,12-14,16,18H2,1-4H3,(H,29,33)
• InChIKey: OOOGGASNZPVJJJ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 66888915) is 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is COCCCc1cn(C)c2ccc(CC(CC3NC(=O)OC3CN3CCCCC3=O)C(C)C)cc12.

What is the InChIKey of 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?

The InChIKey is OOOGGASNZPVJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-19(2)22(16-24-26(35-28(33)29-24)18-31-12-6-5-9-27(31)32)14-20-10-11-25-23(15-20)21(17-30(25)3)8-7-13-34-4/h10-11,15,17,19,22,24,26H,5-9,12-14,16,18H2,1-4H3,(H,29,33).

What are the key properties of 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?

4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 483.65 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[3-(3-methoxypropyl)-1-methylindol-5-yl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66888915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).