benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate

C26H40N2O6 — CID 177118557

About benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate

benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate (PubChem CID 177118557) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
• PubChem CID: 177118557
• Molecular Formula: C26H40N2O6
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.29
• IUPAC Name: benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C(CO)(CO)C2CCN(C(=O)OCc3ccccc3)CC2)CC1
• InChI: InChI=1S/C26H40N2O6/c1-25(2,3)34-24(32)28-15-11-22(12-16-28)26(18-29,19-30)21-9-13-27(14-10-21)23(31)33-17-20-7-5-4-6-8-20/h4-8,21-22,29-30H,9-19H2,1-3H3
• InChIKey: AFKPJHBYGAGSCR-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 99.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate?

The IUPAC name of benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate (CID 177118557) is benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate?

The canonical SMILES for benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(CO)(CO)C2CCN(C(=O)OCc3ccccc3)CC2)CC1.

What is the InChIKey of benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate?

The InChIKey is AFKPJHBYGAGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-25(2,3)34-24(32)28-15-11-22(12-16-28)26(18-29,19-30)21-9-13-27(14-10-21)23(31)33-17-20-7-5-4-6-8-20/h4-8,21-22,29-30H,9-19H2,1-3H3.

What are the key properties of benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate?

benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate has a molecular weight of 476.61 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 177118557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).