sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide

C146H175Cl3N19NaO23S3 — CID 159690876

IUPACsodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide
SMILESCC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(O)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC2OS(=O)OC2C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC=CC(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCCC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H25N5O3.C22H27N3O3.C22H24N2O5S.C22H26N2O4.C22H24N2O2.C12H9N.C11H18O3.C7H7ClO2S.C6H15N.Cl2OS.N3.Na/c1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-22(2,3)27-21(25)23-12-18(20-19(13-23)28-30(26)29-20)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-4(2)3;1-3-2;/h4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;4-11,18-20H,12-13H2,1-3H3;4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;1-8,13H;5,7,9H,4,6,8H2,1-3H3;2-5H,1H3;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1
InChIKeyZYHODZXKPFWJIB-UHFFFAOYSA-N
MW2789.67 g/mol
LogP28.85
Rot. Bonds11

About sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide

sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide (PubChem CID 159690876) has the molecular formula C146H175Cl3N19NaO23S3 and a molecular weight of 2789.67 g/mol. Its IUPAC name is sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide.

Molecular Properties

Compound Namesodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide
PubChem CID159690876
Molecular FormulaC146H175Cl3N19NaO23S3
Molecular Weight2789.67 g/mol
Exact Mass2786.12
IUPAC Namesodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide
SMILESCC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(O)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC2OS(=O)OC2C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC=CC(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCCC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H25N5O3.C22H27N3O3.C22H24N2O5S.C22H26N2O4.C22H24N2O2.C12H9N.C11H18O3.C7H7ClO2S.C6H15N.Cl2OS.N3.Na/c1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-22(2,3)27-21(25)23-12-18(20-19(13-23)28-30(26)29-20)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-4(2)3;1-3-2;/h4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;4-11,18-20H,12-13H2,1-3H3;4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;1-8,13H;5,7,9H,4,6,8H2,1-3H3;2-5H,1H3;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1
InChIKeyZYHODZXKPFWJIB-UHFFFAOYSA-N
XLogP28.85
TPSA528.05 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds11
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.67
LogP ≤ 528.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide?
The IUPAC name of sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide (CID 159690876) is sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide.
What is the SMILES notation for sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide?
The canonical SMILES for sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide is CC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC(O)C(O)C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC2OS(=O)OC2C(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1CC=CC(n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCCC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+].c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide?
The InChIKey is ZYHODZXKPFWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C22H27N3O3.C22H24N2O5S.C22H26N2O4.C22H24N2O2.C12H9N.C11H18O3.C7H7ClO2S.C6H15N.Cl2OS.N3.Na/c1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-22(2,3)27-21(25)23-12-18(20-19(13-23)28-30(26)29-20)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-4(2)3;1-3-2;/h4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;4-11,18-20H,12-13H2,1-3H3;4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;1-8,13H;5,7,9H,4,6,8H2,1-3H3;2-5H,1H3;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1.
What are the key properties of sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide?
sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide has a molecular weight of 2789.67 g/mol, XLogP of 28.85, 11 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide is sourced from PubChem (CID 159690876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).