1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one

C127H147Cl3F2N20O6 — CID 158147329

About 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one

1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one (PubChem CID 158147329) has the molecular formula C127H147Cl3F2N20O6 and a molecular weight of 2194.06 g/mol. Its IUPAC name is 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one.

Molecular Properties

• Compound Name: 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one
• PubChem CID: 158147329
• Molecular Formula: C127H147Cl3F2N20O6
• Molecular Weight: 2194.06 g/mol
• Exact Mass: 2191.08
• IUPAC Name: 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one
• SMILES: CC(=O)N1Cc2c(n(C)c3cc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)ccc23)CC1C.CC1Cc2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc3n2C)CN1.CC1Cc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)CN1.Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CNCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)C(C)(C)NCC2
• InChI: InChI=1S/C27H31ClN4O2.C26H31FN4O.C25H29ClN4O.C25H29FN4O.C24H27ClN4O/c1-18-14-25-24(16-32(18)19(2)33)23-9-8-22(15-26(23)29(25)3)31-13-12-30(17-27(31)34)11-10-20-4-6-21(28)7-5-20;1-26(2)25-21-9-8-20(16-23(21)29(3)22(25)10-12-28-26)31-15-14-30(17-24(31)32)13-11-18-4-6-19(27)7-5-18;2*1-17-13-23-22(15-27-17)21-8-7-20(14-24(21)28(23)2)30-12-11-29(16-25(30)31)10-9-18-3-5-19(26)6-4-18;1-27-22-8-10-26-15-21(22)20-7-6-19(14-23(20)27)29-13-12-28(16-24(29)30)11-9-17-2-4-18(25)5-3-17/h4-9,15,18H,10-14,16-17H2,1-3H3;4-9,16,28H,10-15,17H2,1-3H3;2*3-8,14,17,27H,9-13,15-16H2,1-2H3;2-7,14,26H,8-13,15-16H2,1H3
• InChIKey: FURGFHIOGBIXKL-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 210.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.06
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one?

The IUPAC name of 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one (CID 158147329) is 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one.

What is the SMILES notation for 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one?

The canonical SMILES for 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one is CC(=O)N1Cc2c(n(C)c3cc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)ccc23)CC1C.CC1Cc2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc3n2C)CN1.CC1Cc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)CN1.Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CNCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)C(C)(C)NCC2.

What is the InChIKey of 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one?

The InChIKey is FURGFHIOGBIXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2.C26H31FN4O.C25H29ClN4O.C25H29FN4O.C24H27ClN4O/c1-18-14-25-24(16-32(18)19(2)33)23-9-8-22(15-26(23)29(25)3)31-13-12-30(17-27(31)34)11-10-20-4-6-21(28)7-5-20;1-26(2)25-21-9-8-20(16-23(21)29(3)22(25)10-12-28-26)31-15-14-30(17-24(31)32)13-11-18-4-6-19(27)7-5-18;2*1-17-13-23-22(15-27-17)21-8-7-20(14-24(21)28(23)2)30-12-11-29(16-25(30)31)10-9-18-3-5-19(26)6-4-18;1-27-22-8-10-26-15-21(22)20-7-6-19(14-23(20)27)29-13-12-28(16-24(29)30)11-9-17-2-4-18(25)5-3-17/h4-9,15,18H,10-14,16-17H2,1-3H3;4-9,16,28H,10-15,17H2,1-3H3;2*3-8,14,17,27H,9-13,15-16H2,1-2H3;2-7,14,26H,8-13,15-16H2,1H3.

What are the key properties of 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one?

1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one has a molecular weight of 2194.06 g/mol, XLogP of 17.97, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetyl-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[2-(4-chlorophenyl)ethyl]piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)piperazin-2-one;1-(3,5-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(1,1,5-trimethyl-3,4-dihydro-2H-pyrido[4,3-b]indol-7-yl)piperazin-2-one is sourced from PubChem (CID 158147329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).