4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one

C29H34N4O2 — CID 5322859

IUPAC4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
SMILESCc1cccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)c1C
InChIInChI=1S/C29H34N4O2/c1-19(2)17-33-18-23(26-22-10-6-7-11-25(22)30(5)27(26)29(33)35)28(34)32-15-13-31(14-16-32)24-12-8-9-20(3)21(24)4/h6-12,18-19H,13-17H2,1-5H3
InChIKeySWLGOALBGYRORH-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.73
Rot. Bonds4

About 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one

4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one (PubChem CID 5322859) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
PubChem CID5322859
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
SMILESCc1cccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)c1C
InChIInChI=1S/C29H34N4O2/c1-19(2)17-33-18-23(26-22-10-6-7-11-25(22)30(5)27(26)29(33)35)28(34)32-15-13-31(14-16-32)24-12-8-9-20(3)21(24)4/h6-12,18-19H,13-17H2,1-5H3
InChIKeySWLGOALBGYRORH-UHFFFAOYSA-N
XLogP4.73
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one with MolForge

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Related Compounds

ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
CID 3243588
ethyl 1-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate
CID 5322819
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4625262
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
[1-(2-methylpropyl)indol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55914067
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one
CID 30132708
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-9-methylpyrido[3,4-b]indol-1-one
CID 22427864
1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 20881198

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one (CID 5322859) is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one is Cc1cccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one?
The InChIKey is SWLGOALBGYRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-19(2)17-33-18-23(26-22-10-6-7-11-25(22)30(5)27(26)29(33)35)28(34)32-15-13-31(14-16-32)24-12-8-9-20(3)21(24)4/h6-12,18-19H,13-17H2,1-5H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one?
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one has a molecular weight of 470.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 5322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).