carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate

C135H138Cl5F5N8O24-2 — CID 157171105

About carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate

carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate (PubChem CID 157171105) has the molecular formula C135H138Cl5F5N8O24-2 and a molecular weight of 2528.88 g/mol. Its IUPAC name is carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
• PubChem CID: 157171105
• Molecular Formula: C135H138Cl5F5N8O24-2
• Molecular Weight: 2528.88 g/mol
• Exact Mass: 2524.82
• IUPAC Name: carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.CCOC(=O)C1CCNCC1.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.[CH3-].[CH3-]
• InChI: InChI=1S/C28H28ClFN2O4.C26H24ClFN2O4.C21H17ClFNO3.C20H15ClFNO3.C16H14ClFO4.C14H19NO4.C8H15NO2.2CH3/c1-3-36-28(34)19-11-13-32(14-12-19)27(33)23-9-7-18(17-31-23)15-21-8-10-24(35-2)25(26(21)30)20-5-4-6-22(29)16-20;1-34-22-8-6-19(24(28)23(22)18-3-2-4-20(27)14-18)13-16-5-7-21(29-15-16)25(31)30-11-9-17(10-12-30)26(32)33;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-13(2)14(3,4)19-12(18-13)9-6-7-10(15-8-9)11(16)17-5;1-2-11-8(10)7-3-5-9-6-4-7;;/h4-10,16-17,19H,3,11-15H2,1-2H3;2-8,14-15,17H,9-13H2,1H3,(H,32,33);3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,24,25);3-8H,9H2,1-2H3;6-8,12H,1-5H3;7,9H,2-6H2,1H3;2*1H3/q;;;;;;;2*-1
• InChIKey: ANLXWLDEYASJDE-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 397.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2528.88
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?

The IUPAC name of carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate (CID 157171105) is carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate.

What is the SMILES notation for carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?

The canonical SMILES for carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.CCOC(=O)C1CCNCC1.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.[CH3-].[CH3-].

What is the InChIKey of carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?

The InChIKey is ANLXWLDEYASJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2O4.C26H24ClFN2O4.C21H17ClFNO3.C20H15ClFNO3.C16H14ClFO4.C14H19NO4.C8H15NO2.2CH3/c1-3-36-28(34)19-11-13-32(14-12-19)27(33)23-9-7-18(17-31-23)15-21-8-10-24(35-2)25(26(21)30)20-5-4-6-22(29)16-20;1-34-22-8-6-19(24(28)23(22)18-3-2-4-20(27)14-18)13-16-5-7-21(29-15-16)25(31)30-11-9-17(10-12-30)26(32)33;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-13(2)14(3,4)19-12(18-13)9-6-7-10(15-8-9)11(16)17-5;1-2-11-8(10)7-3-5-9-6-4-7;;/h4-10,16-17,19H,3,11-15H2,1-2H3;2-8,14-15,17H,9-13H2,1H3,(H,32,33);3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,24,25);3-8H,9H2,1-2H3;6-8,12H,1-5H3;7,9H,2-6H2,1H3;2*1H3/q;;;;;;;2*-1.

What are the key properties of carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?

carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate has a molecular weight of 2528.88 g/mol, XLogP of 28.76, 31 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 157171105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).