ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate

C24H30N4O4 — CID 3243588

IUPACethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C24H30N4O4/c1-5-32-24(31)27-12-10-26(11-13-27)22(29)18-15-28(14-16(2)3)23(30)21-20(18)17-8-6-7-9-19(17)25(21)4/h6-9,15-16H,5,10-14H2,1-4H3
InChIKeyFZFFTCXHYOEUBD-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.06
Rot. Bonds4

About ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 3243588) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
PubChem CID3243588
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Nameethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C24H30N4O4/c1-5-32-24(31)27-12-10-26(11-13-27)22(29)18-15-28(14-16(2)3)23(30)21-20(18)17-8-6-7-9-19(17)25(21)4/h6-9,15-16H,5,10-14H2,1-4H3
InChIKeyFZFFTCXHYOEUBD-UHFFFAOYSA-N
XLogP3.06
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 1-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate
CID 5322819
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
CID 5322859
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4625262
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-9-methylpyrido[3,4-b]indol-1-one
CID 22427864
ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
CID 55915165
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one
CID 5322758
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
[1-(2-methylpropyl)indol-3-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 52708336

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate (CID 3243588) is ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1.
What is the InChIKey of ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is FZFFTCXHYOEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-32-24(31)27-12-10-26(11-13-27)22(29)18-15-28(14-16(2)3)23(30)21-20(18)17-8-6-7-9-19(17)25(21)4/h6-9,15-16H,5,10-14H2,1-4H3.
What are the key properties of ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3243588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).