ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate

C24H41N5O6 — CID 19956118

About ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate

ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate (PubChem CID 19956118) has the molecular formula C24H41N5O6 and a molecular weight of 495.62 g/mol. Its IUPAC name is ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
• PubChem CID: 19956118
• Molecular Formula: C24H41N5O6
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.31
• IUPAC Name: ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
• SMILES: [H]/N=C(\N)N1CCC(CCN2CC(CN3CCC(CC(=O)OCC)(C(=O)OCC)CC3)OC2=O)CC1
• InChI: InChI=1S/C24H41N5O6/c1-3-33-20(30)15-24(21(31)34-4-2)8-13-27(14-9-24)16-19-17-29(23(32)35-19)12-7-18-5-10-28(11-6-18)22(25)26/h18-19H,3-17H2,1-2H3,(H3,25,26)
• InChIKey: FORAMEWKAJIPCT-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 138.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate (CID 19956118) is ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate is [H]/N=C(\N)N1CCC(CCN2CC(CN3CCC(CC(=O)OCC)(C(=O)OCC)CC3)OC2=O)CC1.

What is the InChIKey of ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate?

The InChIKey is FORAMEWKAJIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O6/c1-3-33-20(30)15-24(21(31)34-4-2)8-13-27(14-9-24)16-19-17-29(23(32)35-19)12-7-18-5-10-28(11-6-18)22(25)26/h18-19H,3-17H2,1-2H3,(H3,25,26).

What are the key properties of ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate?

ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate has a molecular weight of 495.62 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[[3-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 19956118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).