lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride

C156H217ClLiN18O34+ — CID 159981856

About lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride

lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride (PubChem CID 159981856) has the molecular formula C156H217ClLiN18O34+ and a molecular weight of 2930.94 g/mol. Its IUPAC name is lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride
• PubChem CID: 159981856
• Molecular Formula: C156H217ClLiN18O34+
• Molecular Weight: 2930.94 g/mol
• Exact Mass: 2928.56
• IUPAC Name: lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride
• SMILES: CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)O)C1.CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)OC)C1.CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(c2ncc(-c3ccc4ccccc4c3)o2)C1.CCC(=O)CCCN1CCNC(C(=O)OC)C1.CCC1(CCC=O)OCCO1.CCC1(CCCN2CCN(C(=O)OC(C)(C)C)C(C(=O)OC)C2)OCCO1.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.COc1ccc2[nH]c(C)c(CC(=O)O)c2c1.Cl.NCC(=O)c1ccc2ccccc2c1.[Li+]
• InChI: InChI=1S/C35H38N4O4.C24H33N3O5.C23H31N3O5.C19H34N2O6.C12H22N2O3.C12H13NO3.C12H11NO.C11H20N2O4.C8H14O3.ClH.Li/c1-4-27(40)10-7-15-38-16-17-39(34(41)20-29-23(2)37-31-14-13-28(42-3)19-30(29)31)32(22-38)35-36-21-33(43-35)26-12-11-24-8-5-6-9-25(24)18-26;1-5-17(28)7-6-10-26-11-12-27(22(15-26)24(30)32-4)23(29)14-19-16(2)25-21-9-8-18(31-3)13-20(19)21;1-4-16(27)6-5-9-25-10-11-26(21(14-25)23(29)30)22(28)13-18-15(2)24-20-8-7-17(31-3)12-19(18)20;1-6-19(25-12-13-26-19)8-7-9-20-10-11-21(15(14-20)16(22)24-5)17(23)27-18(2,3)4;1-3-10(15)5-4-7-14-8-6-13-11(9-14)12(16)17-2;1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-2-8(4-3-5-9)10-6-7-11-8;;/h5-6,8-9,11-14,18-19,21,32,37H,4,7,10,15-17,20,22H2,1-3H3;8-9,13,22,25H,5-7,10-12,14-15H2,1-4H3;7-8,12,21,24H,4-6,9-11,13-14H2,1-3H3,(H,29,30);15H,6-14H2,1-5H3;11,13H,3-9H2,1-2H3;3-5,13H,6H2,1-2H3,(H,14,15);1-7H,8,13H2;8,12H,5-7H2,1-4H3;5H,2-4,6-7H2,1H3;1H;/q;;;;;;;;;;+1
• InChIKey: KBTLSAOLTKUABK-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 631.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 50
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2930.94
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride?

The IUPAC name of lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride (CID 159981856) is lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride.

What is the SMILES notation for lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride?

The canonical SMILES for lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride is CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)O)C1.CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(C(=O)OC)C1.CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(c2ncc(-c3ccc4ccccc4c3)o2)C1.CCC(=O)CCCN1CCNC(C(=O)OC)C1.CCC1(CCC=O)OCCO1.CCC1(CCCN2CCN(C(=O)OC(C)(C)C)C(C(=O)OC)C2)OCCO1.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.COc1ccc2[nH]c(C)c(CC(=O)O)c2c1.Cl.NCC(=O)c1ccc2ccccc2c1.[Li+].

What is the InChIKey of lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride?

The InChIKey is KBTLSAOLTKUABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4.C24H33N3O5.C23H31N3O5.C19H34N2O6.C12H22N2O3.C12H13NO3.C12H11NO.C11H20N2O4.C8H14O3.ClH.Li/c1-4-27(40)10-7-15-38-16-17-39(34(41)20-29-23(2)37-31-14-13-28(42-3)19-30(29)31)32(22-38)35-36-21-33(43-35)26-12-11-24-8-5-6-9-25(24)18-26;1-5-17(28)7-6-10-26-11-12-27(22(15-26)24(30)32-4)23(29)14-19-16(2)25-21-9-8-18(31-3)13-20(19)21;1-4-16(27)6-5-9-25-10-11-26(21(14-25)23(29)30)22(28)13-18-15(2)24-20-8-7-17(31-3)12-19(18)20;1-6-19(25-12-13-26-19)8-7-9-20-10-11-21(15(14-20)16(22)24-5)17(23)27-18(2,3)4;1-3-10(15)5-4-7-14-8-6-13-11(9-14)12(16)17-2;1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-2-8(4-3-5-9)10-6-7-11-8;;/h5-6,8-9,11-14,18-19,21,32,37H,4,7,10,15-17,20,22H2,1-3H3;8-9,13,22,25H,5-7,10-12,14-15H2,1-4H3;7-8,12,21,24H,4-6,9-11,13-14H2,1-3H3,(H,29,30);15H,6-14H2,1-5H3;11,13H,3-9H2,1-2H3;3-5,13H,6H2,1-2H3,(H,14,15);1-7H,8,13H2;8,12H,5-7H2,1-4H3;5H,2-4,6-7H2,1H3;1H;/q;;;;;;;;;;+1.

What are the key properties of lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride?

lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride has a molecular weight of 2930.94 g/mol, XLogP of 16.55, 50 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-1-naphthalen-2-ylethanone;1-O-tert-butyl 2-O-methyl 4-[3-(2-ethyl-1,3-dioxolan-2-yl)propyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;3-(2-ethyl-1,3-dioxolan-2-yl)propanal;2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one;1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylic acid;methyl 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-4-(4-oxohexyl)piperazine-2-carboxylate;methyl 4-(4-oxohexyl)piperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 159981856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).