tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride

C167H204ClFN26O26 — CID 162143836

About tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride

tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 162143836) has the molecular formula C167H204ClFN26O26 and a molecular weight of 3046.08 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride
• PubChem CID: 162143836
• Molecular Formula: C167H204ClFN26O26
• Molecular Weight: 3046.08 g/mol
• Exact Mass: 3043.51
• IUPAC Name: tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CCN(CCOC2CC(O)C2)CC1.CC(C)(C)OC(=O)N1CCN(CCOC2CC(Oc3ccc(-c4ccc5c(c4)[nH]c4ccncc45)cn3)C2)CC1.CC1CC(OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1.Cl.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCN(CCOC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)CC4)cc3C2=O)C(=O)N1.O=CCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.c1cc2[nH]c3cc(-c4ccc(OC5CC(OCCN6CCNCC6)C5)nc4)ccc3c2cn1
• InChI: InChI=1S/C44H47N7O7.C31H37N5O4.C26H29N5O2.C18H18N2O6.C16H10FN3.C16H30N2O3.C15H28N2O4.CH4.ClH/c52-40-10-9-39(42(53)48-40)51-43(54)34-8-6-30(25-35(34)44(51)55)56-20-3-1-2-14-49-15-17-50(18-16-49)19-21-57-31-23-32(24-31)58-41-11-5-29(26-46-41)28-4-7-33-36-27-45-13-12-37(36)47-38(33)22-28;1-31(2,3)40-30(37)36-12-10-35(11-13-36)14-15-38-23-17-24(18-23)39-29-7-5-22(19-33-29)21-4-6-25-26-20-32-9-8-27(26)34-28(25)16-21;1-3-22-23-17-28-6-5-24(23)30-25(22)13-18(1)19-2-4-26(29-16-19)33-21-14-20(15-21)32-12-11-31-9-7-27-8-10-31;21-8-2-1-3-9-26-11-4-5-12-13(10-11)18(25)20(17(12)24)14-6-7-15(22)19-16(14)23;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;1-13-11-14(12-13)20-10-9-17-5-7-18(8-6-17)15(19)21-16(2,3)4;1-15(2,3)21-14(19)17-6-4-16(5-7-17)8-9-20-13-10-12(18)11-13;;/h4-8,11-13,22,25-27,31-32,39,47H,1-3,9-10,14-21,23-24H2,(H,48,52,53);4-9,16,19-20,23-24,34H,10-15,17-18H2,1-3H3;1-6,13,16-17,20-21,27,30H,7-12,14-15H2;4-5,8,10,14H,1-3,6-7,9H2,(H,19,22,23);1-9,20H;13-14H,5-12H2,1-4H3;12-13,18H,4-11H2,1-3H3;1H4;1H
• InChIKey: KFPUWLGRFWWIQZ-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 583.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 45
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3046.08
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride?

The IUPAC name of tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride (CID 162143836) is tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride.

What is the SMILES notation for tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride?

The canonical SMILES for tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride is C.CC(C)(C)OC(=O)N1CCN(CCOC2CC(O)C2)CC1.CC(C)(C)OC(=O)N1CCN(CCOC2CC(Oc3ccc(-c4ccc5c(c4)[nH]c4ccncc45)cn3)C2)CC1.CC1CC(OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1.Cl.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCN(CCOC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)CC4)cc3C2=O)C(=O)N1.O=CCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.c1cc2[nH]c3cc(-c4ccc(OC5CC(OCCN6CCNCC6)C5)nc4)ccc3c2cn1.

What is the InChIKey of tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride?

The InChIKey is KFPUWLGRFWWIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N7O7.C31H37N5O4.C26H29N5O2.C18H18N2O6.C16H10FN3.C16H30N2O3.C15H28N2O4.CH4.ClH/c52-40-10-9-39(42(53)48-40)51-43(54)34-8-6-30(25-35(34)44(51)55)56-20-3-1-2-14-49-15-17-50(18-16-49)19-21-57-31-23-32(24-31)58-41-11-5-29(26-46-41)28-4-7-33-36-27-45-13-12-37(36)47-38(33)22-28;1-31(2,3)40-30(37)36-12-10-35(11-13-36)14-15-38-23-17-24(18-23)39-29-7-5-22(19-33-29)21-4-6-25-26-20-32-9-8-27(26)34-28(25)16-21;1-3-22-23-17-28-6-5-24(23)30-25(22)13-18(1)19-2-4-26(29-16-19)33-21-14-20(15-21)32-12-11-31-9-7-27-8-10-31;21-8-2-1-3-9-26-11-4-5-12-13(10-11)18(25)20(17(12)24)14-6-7-15(22)19-16(14)23;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;1-13-11-14(12-13)20-10-9-17-5-7-18(8-6-17)15(19)21-16(2,3)4;1-15(2,3)21-14(19)17-6-4-16(5-7-17)8-9-20-13-10-12(18)11-13;;/h4-8,11-13,22,25-27,31-32,39,47H,1-3,9-10,14-21,23-24H2,(H,48,52,53);4-9,16,19-20,23-24,34H,10-15,17-18H2,1-3H3;1-6,13,16-17,20-21,27,30H,7-12,14-15H2;4-5,8,10,14H,1-3,6-7,9H2,(H,19,22,23);1-9,20H;13-14H,5-12H2,1-4H3;12-13,18H,4-11H2,1-3H3;1H4;1H.

What are the key properties of tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride?

tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 3046.08 g/mol, XLogP of 23.08, 45 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(3-hydroxycyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-methylcyclobutyl)oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;7-[6-[3-(2-piperazin-1-ylethoxy)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 162143836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).