lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate

C17H27LiN4O6 — CID 59099494

About lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate

lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate (PubChem CID 59099494) has the molecular formula C17H27LiN4O6 and a molecular weight of 390.37 g/mol. Its IUPAC name is lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate
• PubChem CID: 59099494
• Molecular Formula: C17H27LiN4O6
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.21
• IUPAC Name: lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN=C1NCCOC(=O)N1CCC(C(=O)[O-])CC1.[Li+]
• InChI: InChI=1S/C17H28N4O6.Li/c1-17(2,3)27-16(25)21-10-6-18-14(21)19-7-11-26-15(24)20-8-4-12(5-9-20)13(22)23;/h12H,4-11H2,1-3H3,(H,18,19)(H,22,23);/q;+1/p-1
• InChIKey: IFEFKAWFGDSOPK-UHFFFAOYSA-M
• XLogP: -3.21
• TPSA: 123.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	-3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate?

The IUPAC name of lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate (CID 59099494) is lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate.

What is the SMILES notation for lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate?

The canonical SMILES for lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C1NCCOC(=O)N1CCC(C(=O)[O-])CC1.[Li+].

What is the InChIKey of lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate?

The InChIKey is IFEFKAWFGDSOPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H28N4O6.Li/c1-17(2,3)27-16(25)21-10-6-18-14(21)19-7-11-26-15(24)20-8-4-12(5-9-20)13(22)23;/h12H,4-11H2,1-3H3,(H,18,19)(H,22,23);/q;+1/p-1.

What are the key properties of lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate?

lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate has a molecular weight of 390.37 g/mol, XLogP of -3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 59099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).