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

C75H110N10O8 — CID 158366525

About tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid (PubChem CID 158366525) has the molecular formula C75H110N10O8 and a molecular weight of 1279.77 g/mol. Its IUPAC name is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
• PubChem CID: 158366525
• Molecular Formula: C75H110N10O8
• Molecular Weight: 1279.77 g/mol
• Exact Mass: 1278.85
• IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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)CC2CCCN(C(=O)OC(C)(C)C)C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)CC2CCCNC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCN(C)C1
• InChI: InChI=1S/C27H39N3O3.C22H31N3O.C16H20N2O2.C10H20N2O2/c1-19-8-9-24-22(15-19)23-18-28(5)13-11-25(23)30(24)14-10-21(31)16-20-7-6-12-29(17-20)26(32)33-27(2,3)4;1-16-5-6-21-19(12-16)20-15-24(2)10-8-22(20)25(21)11-7-18(26)13-17-4-3-9-23-14-17;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/h8-9,15,20H,6-7,10-14,16-18H2,1-5H3;5-6,12,17,23H,3-4,7-11,13-15H2,1-2H3;3-4,9H,5-8,10H2,1-2H3,(H,19,20);8H,4-7,11H2,1-3H3
• InChIKey: GUCDMPGSEXQUMR-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 193.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.77
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	3
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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid (CID 158366525) is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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)CC2CCCN(C(=O)OC(C)(C)C)C2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)CC2CCCNC2)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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid?

The InChIKey is GUCDMPGSEXQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O3.C22H31N3O.C16H20N2O2.C10H20N2O2/c1-19-8-9-24-22(15-19)23-18-28(5)13-11-25(23)30(24)14-10-21(31)16-20-7-6-12-29(17-20)26(32)33-27(2,3)4;1-16-5-6-21-19(12-16)20-15-24(2)10-8-22(20)25(21)11-7-18(26)13-17-4-3-9-23-14-17;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/h8-9,15,20H,6-7,10-14,16-18H2,1-5H3;5-6,12,17,23H,3-4,7-11,13-15H2,1-2H3;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid has a molecular weight of 1279.77 g/mol, XLogP of 11.98, 13 rotatable bonds, 3 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-[4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxobutyl]piperidine-1-carboxylate;4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-3-ylbutan-2-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid is sourced from PubChem (CID 158366525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).