methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

C32H41N3O3 — CID 67344394

About methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (PubChem CID 67344394) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.

Molecular Properties

• Compound Name: methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
• PubChem CID: 67344394
• Molecular Formula: C32H41N3O3
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.31
• IUPAC Name: methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
• SMILES: CN[C@H]1COc2c(CN3CCCCC3)cccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1
• InChI: InChI=1S/C32H41N3O3/c1-33-25-20-35-28-18-23(32(36)37-2)14-15-26(28)29(22-10-5-3-6-11-22)30(35)27-13-9-12-24(31(27)38-21-25)19-34-16-7-4-8-17-34/h9,12-15,18,22,25,33H,3-8,10-11,16-17,19-21H2,1-2H3/t25-/m1/s1
• InChIKey: GDXHVCXFWBRTMJ-RUZDIDTESA-N
• XLogP: 6.11
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The IUPAC name of methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (CID 67344394) is methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.

What is the SMILES notation for methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The canonical SMILES for methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is CN[C@H]1COc2c(CN3CCCCC3)cccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1.

What is the InChIKey of methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The InChIKey is GDXHVCXFWBRTMJ-RUZDIDTESA-N. The full InChI is InChI=1S/C32H41N3O3/c1-33-25-20-35-28-18-23(32(36)37-2)14-15-26(28)29(22-10-5-3-6-11-22)30(35)27-13-9-12-24(31(27)38-21-25)19-34-16-7-4-8-17-34/h9,12-15,18,22,25,33H,3-8,10-11,16-17,19-21H2,1-2H3/t25-/m1/s1.

What are the key properties of methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate has a molecular weight of 515.70 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (10R)-19-cyclohexyl-10-(methylamino)-6-(piperidin-1-ylmethyl)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is sourced from PubChem (CID 67344394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).