tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane

C132H160Cl3FN18O20 — CID 160532503

About tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane

tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane (PubChem CID 160532503) has the molecular formula C132H160Cl3FN18O20 and a molecular weight of 2444.19 g/mol. Its IUPAC name is tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane.

Molecular Properties

• Compound Name: tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane
• PubChem CID: 160532503
• Molecular Formula: C132H160Cl3FN18O20
• Molecular Weight: 2444.19 g/mol
• Exact Mass: 2441.11
• IUPAC Name: tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane
• SMILES: C1COC2(CC3(CNC3)C2)OC1.CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)OCCCO1.CC(C)(C)OC(=O)N1CC2(CC(=O)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CC(=O)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1
• InChI: InChI=1S/C26H29ClN4O3.C23H23ClN4O2.C16H18N2O2.C16H22N2O2.C14H23NO4.C11H17NO3.C10H9ClN2O2.C9H15NO2.C7H4FN/c1-2-21-23(31-13-19(27)6-9-22(31)29-21)24(32)28-12-18-4-7-20(8-5-18)30-16-25(17-30)14-26(15-25)33-10-3-11-34-26;1-2-19-21(28-12-16(24)5-8-20(28)26-19)22(30)25-11-15-3-6-17(7-4-15)27-13-23(14-27)9-18(29)10-23;1-17-13-3-5-14(6-4-13)18-11-15(12-18)9-16(10-15)19-7-2-8-20-16;17-8-13-2-4-14(5-3-13)18-11-15(12-18)9-16(10-15)19-6-1-7-20-16;1-12(2,3)19-11(16)15-9-13(10-15)7-14(8-13)17-5-4-6-18-14;1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2-11-9(12-3-1)4-8(5-9)6-10-7-8;1-9-7-4-2-6(8)3-5-7/h4-9,13H,2-3,10-12,14-17H2,1H3,(H,28,32);3-8,12H,2,9-11,13-14H2,1H3,(H,25,30);3-6H,2,7-12H2;2-5H,1,6-12,17H2;4-10H2,1-3H3;4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);10H,1-7H2;2-5H
• InChIKey: QVSQIZUDFFRPJX-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 392.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2444.19
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane?

The IUPAC name of tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane (CID 160532503) is tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane.

What is the SMILES notation for tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane?

The canonical SMILES for tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane is C1COC2(CC3(CNC3)C2)OC1.CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)OCCCO1.CC(C)(C)OC(=O)N1CC2(CC(=O)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CC(=O)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3(C2)CC2(C3)OCCCO2)cc1.

What is the InChIKey of tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane?

The InChIKey is QVSQIZUDFFRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3.C23H23ClN4O2.C16H18N2O2.C16H22N2O2.C14H23NO4.C11H17NO3.C10H9ClN2O2.C9H15NO2.C7H4FN/c1-2-21-23(31-13-19(27)6-9-22(31)29-21)24(32)28-12-18-4-7-20(8-5-18)30-16-25(17-30)14-26(15-25)33-10-3-11-34-26;1-2-19-21(28-12-16(24)5-8-20(28)26-19)22(30)25-11-15-3-6-17(7-4-15)27-13-23(14-27)9-18(29)10-23;1-17-13-3-5-14(6-4-13)18-11-15(12-18)9-16(10-15)19-7-2-8-20-16;17-8-13-2-4-14(5-3-13)18-11-15(12-18)9-16(10-15)19-6-1-7-20-16;1-12(2,3)19-11(16)15-9-13(10-15)7-14(8-13)17-5-4-6-18-14;1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2-11-9(12-3-1)4-8(5-9)6-10-7-8;1-9-7-4-2-6(8)3-5-7/h4-9,13H,2-3,10-12,14-17H2,1H3,(H,28,32);3-8,12H,2,9-11,13-14H2,1H3,(H,25,30);3-6H,2,7-12H2;2-5H,1,6-12,17H2;4-10H2,1-3H3;4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);10H,1-7H2;2-5H.

What are the key properties of tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane?

tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane has a molecular weight of 2444.19 g/mol, XLogP of 21.58, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7,11-dioxa-2-azadispiro[3.1.56.14]dodecane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(6-oxo-2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7,11-dioxa-2-azadispiro[3.1.56.14]dodecane;[4-(7,11-dioxa-2-azadispiro[3.1.56.14]dodecan-2-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;2-(4-isocyanophenyl)-7,11-dioxa-2-azadispiro[3.1.56.14]dodecane is sourced from PubChem (CID 160532503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).