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

C73H108N12O8 — CID 158477910

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

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid (PubChem CID 158477910) has the molecular formula C73H108N12O8 and a molecular weight of 1281.74 g/mol. Its IUPAC name is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid.

Molecular Properties

• Compound Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
• PubChem CID: 158477910
• Molecular Formula: C73H108N12O8
• Molecular Weight: 1281.74 g/mol
• Exact Mass: 1280.84
• IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
• SMILES: CC(C)(C)OC(=O)N1CCCC(N)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCNC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCN(C)C1
• InChI: InChI=1S/C26H38N4O3.C21H30N4O.C16H20N2O2.C10H20N2O2/c1-18-8-9-22-20(15-18)21-17-28(5)13-10-23(21)30(22)14-11-24(31)27-19-7-6-12-29(16-19)25(32)33-26(2,3)4;1-15-5-6-19-17(12-15)18-14-24(2)10-7-20(18)25(19)11-8-21(26)23-16-4-3-9-22-13-16;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)12-6-4-5-8(11)7-12/h8-9,15,19H,6-7,10-14,16-17H2,1-5H3,(H,27,31);5-6,12,16,22H,3-4,7-11,13-14H2,1-2H3,(H,23,26);3-4,9H,5-8,10H2,1-2H3,(H,19,20);8H,4-7,11H2,1-3H3
• InChIKey: HHDVFQBUNXALSJ-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 217.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1281.74
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid (CID 158477910) is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid.

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

The canonical SMILES for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid is CC(C)(C)OC(=O)N1CCCC(N)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCNC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCN(C)C1.

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

The InChIKey is HHDVFQBUNXALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3.C21H30N4O.C16H20N2O2.C10H20N2O2/c1-18-8-9-22-20(15-18)21-17-28(5)13-10-23(21)30(22)14-11-24(31)27-19-7-6-12-29(16-19)25(32)33-26(2,3)4;1-15-5-6-19-17(12-15)18-14-24(2)10-7-20(18)25(19)11-8-21(26)23-16-4-3-9-22-13-16;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)12-6-4-5-8(11)7-12/h8-9,15,19H,6-7,10-14,16-17H2,1-5H3,(H,27,31);5-6,12,16,22H,3-4,7-11,13-14H2,1-2H3,(H,23,26);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 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid?

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid has a molecular weight of 1281.74 g/mol, XLogP of 9.80, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[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-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid is sourced from PubChem (CID 158477910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).