tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate

C91H132N14O10 — CID 158720186

About tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate (PubChem CID 158720186) has the molecular formula C91H132N14O10 and a molecular weight of 1582.14 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
• PubChem CID: 158720186
• Molecular Formula: C91H132N14O10
• Molecular Weight: 1582.14 g/mol
• Exact Mass: 1581.03
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)CCn1c2c(c3cc(C)ccc31)CN(C)CC2.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCNCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCN(C)C1
• InChI: InChI=1S/C26H38N4O3.C21H30N4O.C18H24N2O2.C16H20N2O2.C10H20N2O2/c1-18-6-7-22-20(16-18)21-17-28(5)12-10-23(21)30(22)15-11-24(31)27-19-8-13-29(14-9-19)25(32)33-26(2,3)4;1-15-3-4-19-17(13-15)18-14-24(2)11-7-20(18)25(19)12-8-21(26)23-16-5-9-22-10-6-16;1-4-22-18(21)8-10-20-16-6-5-13(2)11-14(16)15-12-19(3)9-7-17(15)20;1-11-3-4-14-12(9-11)13-10-17(2)7-5-15(13)18(14)8-6-16(19)20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h6-7,16,19H,8-15,17H2,1-5H3,(H,27,31);3-4,13,16,22H,5-12,14H2,1-2H3,(H,23,26);5-6,11H,4,7-10,12H2,1-3H3;3-4,9H,5-8,10H2,1-2H3,(H,19,20);8H,4-7,11H2,1-3H3
• InChIKey: IJUXBYHYUFSUDJ-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 251.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.14
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate (CID 158720186) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate.

What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate is CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)CCn1c2c(c3cc(C)ccc31)CN(C)CC2.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCNCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCN(C)C1.

What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?

The InChIKey is IJUXBYHYUFSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3.C21H30N4O.C18H24N2O2.C16H20N2O2.C10H20N2O2/c1-18-6-7-22-20(16-18)21-17-28(5)12-10-23(21)30(22)15-11-24(31)27-19-8-13-29(14-9-19)25(32)33-26(2,3)4;1-15-3-4-19-17(13-15)18-14-24(2)11-7-20(18)25(19)12-8-21(26)23-16-5-9-22-10-6-16;1-4-22-18(21)8-10-20-16-6-5-13(2)11-14(16)15-12-19(3)9-7-17(15)20;1-11-3-4-14-12(9-11)13-10-17(2)7-5-15(13)18(14)8-6-16(19)20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h6-7,16,19H,8-15,17H2,1-5H3,(H,27,31);3-4,13,16,22H,5-12,14H2,1-2H3,(H,23,26);5-6,11H,4,7-10,12H2,1-3H3;3-4,9H,5-8,10H2,1-2H3,(H,19,20);8H,4-7,11H2,1-3H3.

What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate has a molecular weight of 1582.14 g/mol, XLogP of 12.69, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid;ethyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate is sourced from PubChem (CID 158720186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).