benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde

C170H225BrN32O22 — CID 167648105

About benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde

benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde (PubChem CID 167648105) has the molecular formula C170H225BrN32O22 and a molecular weight of 3148.78 g/mol. Its IUPAC name is benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde.

Molecular Properties

• Compound Name: benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde
• PubChem CID: 167648105
• Molecular Formula: C170H225BrN32O22
• Molecular Weight: 3148.78 g/mol
• Exact Mass: 3145.67
• IUPAC Name: benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde
• SMILES: Brc1ccn2c(n1)nc1ccccc12.COC(CC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1)OC.COC(CC1CCN(C2CCN(c3ccn4c(n3)nc3ccccc34)CC2)CC1)OC.COC(CC1CCN(C2CCNCC2)CC1)OC.COC(CC1CCNCC1)OC.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(C6CCN(c7ccn8c(n7)nc7ccccc78)CC6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=C1CCN(C(=O)OCc2ccccc2)CC1.O=CCC1CCN(C2CCN(c3ccn4c(n3)nc3ccccc34)CC2)CC1
• InChI: InChI=1S/C39H45N9O4.C24H33N5O2.C22H27N5O.C22H34N2O4.C17H18N4O4.C14H28N2O2.C13H15NO3.C10H6BrN3.C9H19NO2/c49-35-8-7-33(36(50)42-35)48-37(51)29-6-5-28(25-30(29)38(48)52)45-23-21-43(22-24-45)15-9-26-10-16-44(17-11-26)27-12-18-46(19-13-27)34-14-20-47-32-4-2-1-3-31(32)40-39(47)41-34;1-30-23(31-2)17-18-7-12-27(13-8-18)19-9-14-28(15-10-19)22-11-16-29-21-6-4-3-5-20(21)25-24(29)26-22;28-16-10-17-5-11-25(12-6-17)18-7-13-26(14-8-18)21-9-15-27-20-4-2-1-3-19(20)23-22(27)24-21;1-26-21(27-2)16-18-8-12-23(13-9-18)20-10-14-24(15-11-20)22(25)28-17-19-6-4-3-5-7-19;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-17-14(18-2)11-12-5-9-16(10-6-12)13-3-7-15-8-4-13;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9;1-11-9(12-2)7-8-3-5-10-6-4-8/h1-6,14,20,25-27,33H,7-13,15-19,21-24H2,(H,42,49,50);3-6,11,16,18-19,23H,7-10,12-15,17H2,1-2H3;1-4,9,15-18H,5-8,10-14H2;3-7,18,20-21H,8-17H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);12-15H,3-11H2,1-2H3;1-5H,6-10H2;1-6H;8-10H,3-7H2,1-2H3
• InChIKey: QECCSTFSIKUJSZ-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 526.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 48
• Rotatable Bonds: 37
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3148.78
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde?

The IUPAC name of benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde (CID 167648105) is benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde.

What is the SMILES notation for benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde?

The canonical SMILES for benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde is Brc1ccn2c(n1)nc1ccccc12.COC(CC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1)OC.COC(CC1CCN(C2CCN(c3ccn4c(n3)nc3ccccc34)CC2)CC1)OC.COC(CC1CCN(C2CCNCC2)CC1)OC.COC(CC1CCNCC1)OC.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(C6CCN(c7ccn8c(n7)nc7ccccc78)CC6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=C1CCN(C(=O)OCc2ccccc2)CC1.O=CCC1CCN(C2CCN(c3ccn4c(n3)nc3ccccc34)CC2)CC1.

What is the InChIKey of benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde?

The InChIKey is QECCSTFSIKUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N9O4.C24H33N5O2.C22H27N5O.C22H34N2O4.C17H18N4O4.C14H28N2O2.C13H15NO3.C10H6BrN3.C9H19NO2/c49-35-8-7-33(36(50)42-35)48-37(51)29-6-5-28(25-30(29)38(48)52)45-23-21-43(22-24-45)15-9-26-10-16-44(17-11-26)27-12-18-46(19-13-27)34-14-20-47-32-4-2-1-3-31(32)40-39(47)41-34;1-30-23(31-2)17-18-7-12-27(13-8-18)19-9-14-28(15-10-19)22-11-16-29-21-6-4-3-5-20(21)25-24(29)26-22;28-16-10-17-5-11-25(12-6-17)18-7-13-26(14-8-18)21-9-15-27-20-4-2-1-3-19(20)23-22(27)24-21;1-26-21(27-2)16-18-8-12-23(13-9-18)20-10-14-24(15-11-20)22(25)28-17-19-6-4-3-5-7-19;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-17-14(18-2)11-12-5-9-16(10-6-12)13-3-7-15-8-4-13;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9;1-11-9(12-2)7-8-3-5-10-6-4-8/h1-6,14,20,25-27,33H,7-13,15-19,21-24H2,(H,42,49,50);3-6,11,16,18-19,23H,7-10,12-15,17H2,1-2H3;1-4,9,15-18H,5-8,10-14H2;3-7,18,20-21H,8-17H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);12-15H,3-11H2,1-2H3;1-5H,6-10H2;1-6H;8-10H,3-7H2,1-2H3.

What are the key properties of benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde?

benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde has a molecular weight of 3148.78 g/mol, XLogP of 19.99, 37 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 167648105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).