1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene

C107H137N13O3 — CID 158800088

About 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene (PubChem CID 158800088) has the molecular formula C107H137N13O3 and a molecular weight of 1653.36 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene
• PubChem CID: 158800088
• Molecular Formula: C107H137N13O3
• Molecular Weight: 1653.36 g/mol
• Exact Mass: 1652.10
• IUPAC Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene
• SMILES: C=CCC1(C)CN(C)CCC1=O.C=CCC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(=C)c1ccncc1)c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(C)(O)c1ccncc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(c2ccncc2)=CCC3(C)CN(C)C1
• InChI: InChI=1S/C25H31N3O.C25H29N3.C23H25N3.C17H22N2.C10H17NO.C7H13NO/c1-6-11-24(3)16-27(5)15-21-20-14-18(2)7-8-22(20)28(23(21)24)17-25(4,29)19-9-12-26-13-10-19;1-6-11-25(4)17-27(5)16-22-21-14-18(2)7-8-23(21)28(24(22)25)15-19(3)20-9-12-26-13-10-20;1-16-4-5-21-19(12-16)20-14-25(3)15-23(2)9-6-18(13-26(21)22(20)23)17-7-10-24-11-8-17;1-5-8-17(3)11-19(4)10-14-13-9-12(2)6-7-15(13)18-16(14)17;1-4-6-10(2)8-11(3)7-5-9(10)12;1-6-5-8(2)4-3-7(6)9/h6-10,12-14,29H,1,11,15-17H2,2-5H3;6-10,12-14H,1,3,11,15-17H2,2,4-5H3;4-8,10-12H,9,13-15H2,1-3H3;5-7,9,18H,1,8,10-11H2,2-4H3;4H,1,5-8H2,2-3H3;6H,3-5H2,1-2H3
• InChIKey: ITJIYUUXAFURFK-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 143.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.36
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene?

The IUPAC name of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene (CID 158800088) is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene.

What is the SMILES notation for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene?

The canonical SMILES for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene is C=CCC1(C)CN(C)CCC1=O.C=CCC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(=C)c1ccncc1)c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(C)(O)c1ccncc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(c2ccncc2)=CCC3(C)CN(C)C1.

What is the InChIKey of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene?

The InChIKey is ITJIYUUXAFURFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C25H29N3.C23H25N3.C17H22N2.C10H17NO.C7H13NO/c1-6-11-24(3)16-27(5)15-21-20-14-18(2)7-8-22(20)28(23(21)24)17-25(4,29)19-9-12-26-13-10-19;1-6-11-25(4)17-27(5)16-22-21-14-18(2)7-8-23(21)28(24(22)25)15-19(3)20-9-12-26-13-10-20;1-16-4-5-21-19(12-16)20-14-25(3)15-23(2)9-6-18(13-26(21)22(20)23)17-7-10-24-11-8-17;1-5-8-17(3)11-19(4)10-14-13-9-12(2)6-7-15(13)18-16(14)17;1-4-6-10(2)8-11(3)7-5-9(10)12;1-6-5-8(2)4-3-7(6)9/h6-10,12-14,29H,1,11,15-17H2,2-5H3;6-10,12-14H,1,3,11,15-17H2,2,4-5H3;4-8,10-12H,9,13-15H2,1-3H3;5-7,9,18H,1,8,10-11H2,2-4H3;4H,1,5-8H2,2-3H3;6H,3-5H2,1-2H3.

What are the key properties of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene?

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene has a molecular weight of 1653.36 g/mol, XLogP of 20.16, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;2-pyridin-4-yl-1-(2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indol-5-yl)propan-2-ol;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole;2,4,8-trimethyl-4-prop-2-enyl-5-(2-pyridin-4-ylprop-2-enyl)-1,3-dihydropyrido[4,3-b]indole;3,5,14-trimethyl-8-pyridin-4-yl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene is sourced from PubChem (CID 158800088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).