bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride

C119H165Cl2N13O14Si2 — CID 158445754

About bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride

bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride (PubChem CID 158445754) has the molecular formula C119H165Cl2N13O14Si2 and a molecular weight of 2128.78 g/mol. Its IUPAC name is bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride.

Molecular Properties

• Compound Name: bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride
• PubChem CID: 158445754
• Molecular Formula: C119H165Cl2N13O14Si2
• Molecular Weight: 2128.78 g/mol
• Exact Mass: 2126.15
• IUPAC Name: bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(CO)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(Cn4ccccc4=O)ccc23)CC1.CN(C)Cc1c(Cn2ccccc2=O)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(Cn2ccccc2=O)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.Cl.Cl
• InChI: InChI=1S/C32H47N3O5Si.2C30H36N4O2.C27H44N2O5Si.2ClH/c1-31(2,3)39-30(37)34-19-16-23(17-20-34)12-15-27-25-14-13-24(21-35-18-10-9-11-28(35)36)26(29(25)40-33-27)22-38-41(7,8)32(4,5)6;2*1-32(2)22-27-25(21-34-17-7-6-10-29(34)35)12-13-26-28(31-36-30(26)27)14-11-23-15-18-33(19-16-23)20-24-8-4-3-5-9-24;1-26(2,3)33-25(31)29-15-13-19(14-16-29)9-12-23-21-11-10-20(17-30)22(24(21)34-28-23)18-32-35(7,8)27(4,5)6;;/h9-11,13-14,18,23H,12,15-17,19-22H2,1-8H3;2*3-10,12-13,17,23H,11,14-16,18-22H2,1-2H3;10-11,19,30H,9,12-18H2,1-8H3;2*1H
• InChIKey: GHCVNDJVMMEVRF-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 280.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.78
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride?

The IUPAC name of bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride (CID 158445754) is bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride.

What is the SMILES notation for bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride?

The canonical SMILES for bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride is CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(CO)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(Cn4ccccc4=O)ccc23)CC1.CN(C)Cc1c(Cn2ccccc2=O)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(Cn2ccccc2=O)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.Cl.Cl.

What is the InChIKey of bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride?

The InChIKey is GHCVNDJVMMEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O5Si.2C30H36N4O2.C27H44N2O5Si.2ClH/c1-31(2,3)39-30(37)34-19-16-23(17-20-34)12-15-27-25-14-13-24(21-35-18-10-9-11-28(35)36)26(29(25)40-33-27)22-38-41(7,8)32(4,5)6;2*1-32(2)22-27-25(21-34-17-7-6-10-29(34)35)12-13-26-28(31-36-30(26)27)14-11-23-15-18-33(19-16-23)20-24-8-4-3-5-9-24;1-26(2,3)33-25(31)29-15-13-19(14-16-29)9-12-23-21-11-10-20(17-30)22(24(21)34-28-23)18-32-35(7,8)27(4,5)6;;/h9-11,13-14,18,23H,12,15-17,19-22H2,1-8H3;2*3-10,12-13,17,23H,11,14-16,18-22H2,1-2H3;10-11,19,30H,9,12-18H2,1-8H3;2*1H.

What are the key properties of bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride?

bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride has a molecular weight of 2128.78 g/mol, XLogP of 24.29, 33 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]methyl]pyridin-2-one);tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-oxo-1-pyridinyl)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 158445754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).