1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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

C84H114N10O4 — CID 158794768

About 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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 (PubChem CID 158794768) has the molecular formula C84H114N10O4 and a molecular weight of 1327.90 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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
• PubChem CID: 158794768
• Molecular Formula: C84H114N10O4
• Molecular Weight: 1327.90 g/mol
• Exact Mass: 1326.90
• IUPAC Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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
• 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)(O)c1ccncc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(C)(c2ccncc2)OC(C)CC3(C)CN(C)C1
• InChI: InChI=1S/2C25H31N3O.C17H22N2.C10H17NO.C7H13NO/c1-17-6-7-22-20(12-17)21-14-27(5)15-24(3)13-18(2)29-25(4,16-28(22)23(21)24)19-8-10-26-11-9-19;1-6-11-24(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;1-5-8-17(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/h6-12,18H,13-16H2,1-5H3;6-10,12-14,29H,1,11,15-17H2,2-5H3;5-7,9,18H,1,8,10-11H2,2-4H3;4H,1,5-8H2,2-3H3;6H,3-5H2,1-2H3
• InChIKey: ISSPWMTVSWRLFM-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 131.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1327.90
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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?

The IUPAC name of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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 (CID 158794768) is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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.

What is the SMILES notation for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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?

The canonical SMILES for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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 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)(O)c1ccncc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(C)(c2ccncc2)OC(C)CC3(C)CN(C)C1.

What is the InChIKey of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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?

The InChIKey is ISSPWMTVSWRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N3O.C17H22N2.C10H17NO.C7H13NO/c1-17-6-7-22-20(12-17)21-14-27(5)15-24(3)13-18(2)29-25(4,16-28(22)23(21)24)19-8-10-26-11-9-19;1-6-11-24(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;1-5-8-17(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/h6-12,18H,13-16H2,1-5H3;6-10,12-14,29H,1,11,15-17H2,2-5H3;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;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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?

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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 has a molecular weight of 1327.90 g/mol, XLogP of 15.06, 10 rotatable bonds, 2 hydrogen bond donors, and 13 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;3,5,7,9,15-pentamethyl-9-pyridin-4-yl-8-oxa-3,11-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(18),12(17),13,15-tetraene;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 is sourced from PubChem (CID 158794768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).