tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C158H202N10O22 — CID 161220887

About tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 161220887) has the molecular formula C158H202N10O22 and a molecular weight of 2593.40 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
• PubChem CID: 161220887
• Molecular Formula: C158H202N10O22
• Molecular Weight: 2593.40 g/mol
• Exact Mass: 2591.50
• IUPAC Name: tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
• SMILES: COC(=O)c1ccc(C2CC(C)CCN2)c2c1CCCC2.COC(=O)c1ccc([C@@H]2C[C@H](C)CCN2Cc2c(OC)cc(C)c3c2ccn3C(=O)OC(C)(C)C)c2c1CCCC2.COC(=O)c1ccc([C@H]2C[C@H](C)CCN2Cc2c(OC)cc(C)c3c2ccn3C(=O)OC(C)(C)C)c2c1CCCC2.COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](C)C[C@@H]1c1ccc(C(=O)O)c2c1CCCC2.COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](C)C[C@H]1c1ccc(C(=O)O)c2c1CCCC2.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CO
• InChI: InChI=1S/2C34H44N2O5.2C28H34N2O3.C18H25NO2.C16H21NO4/c2*1-21-14-16-35(29(18-21)25-12-13-27(32(37)40-7)24-11-9-8-10-23(24)25)20-28-26-15-17-36(33(38)41-34(3,4)5)31(26)22(2)19-30(28)39-6;2*1-17-11-13-30(16-24-22-10-12-29-27(22)18(2)15-26(24)33-3)25(14-17)21-8-9-23(28(31)32)20-7-5-4-6-19(20)21;1-12-9-10-19-17(11-12)15-7-8-16(18(20)21-2)14-6-4-3-5-13(14)15;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4/h2*12-13,15,17,19,21,29H,8-11,14,16,18,20H2,1-7H3;2*8-10,12,15,17,25,29H,4-7,11,13-14,16H2,1-3H3,(H,31,32);7-8,12,17,19H,3-6,9-11H2,1-2H3;6-8,18H,9H2,1-5H3/t21-,29+;21-,29-;17-,25+;17-,25-;;/m1111../s1
• InChIKey: UXMKWKVZEXJNGE-SMYSNUGNSA-N
• XLogP: 33.48
• TPSA: 370.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2593.40
LogP ≤ 5	33.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?

The IUPAC name of tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 161220887) is tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?

The canonical SMILES for tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is COC(=O)c1ccc(C2CC(C)CCN2)c2c1CCCC2.COC(=O)c1ccc([C@@H]2C[C@H](C)CCN2Cc2c(OC)cc(C)c3c2ccn3C(=O)OC(C)(C)C)c2c1CCCC2.COC(=O)c1ccc([C@H]2C[C@H](C)CCN2Cc2c(OC)cc(C)c3c2ccn3C(=O)OC(C)(C)C)c2c1CCCC2.COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](C)C[C@@H]1c1ccc(C(=O)O)c2c1CCCC2.COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](C)C[C@H]1c1ccc(C(=O)O)c2c1CCCC2.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CO.

What is the InChIKey of tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?

The InChIKey is UXMKWKVZEXJNGE-SMYSNUGNSA-N. The full InChI is InChI=1S/2C34H44N2O5.2C28H34N2O3.C18H25NO2.C16H21NO4/c2*1-21-14-16-35(29(18-21)25-12-13-27(32(37)40-7)24-11-9-8-10-23(24)25)20-28-26-15-17-36(33(38)41-34(3,4)5)31(26)22(2)19-30(28)39-6;2*1-17-11-13-30(16-24-22-10-12-29-27(22)18(2)15-26(24)33-3)25(14-17)21-8-9-23(28(31)32)20-7-5-4-6-19(20)21;1-12-9-10-19-17(11-12)15-7-8-16(18(20)21-2)14-6-4-3-5-13(14)15;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4/h2*12-13,15,17,19,21,29H,8-11,14,16,18,20H2,1-7H3;2*8-10,12,15,17,25,29H,4-7,11,13-14,16H2,1-3H3,(H,31,32);7-8,12,17,19H,3-6,9-11H2,1-2H3;6-8,18H,9H2,1-5H3/t21-,29+;21-,29-;17-,25+;17-,25-;;/m1111../s1.

What are the key properties of tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?

tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 2593.40 g/mol, XLogP of 33.48, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 161220887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).