2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one

C25H32N4O2 — CID 20851918

IUPAC2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
SMILESCCN1CCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C25H32N4O2/c1-3-27-13-15-28(16-14-27)24(30)20-17-29(18-9-5-4-6-10-18)25(31)23-22(20)19-11-7-8-12-21(19)26(23)2/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3
InChIKeyIJYFBPUXCZINGY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.78
Rot. Bonds3

About 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one

2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one (PubChem CID 20851918) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
PubChem CID20851918
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
SMILESCCN1CCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C25H32N4O2/c1-3-27-13-15-28(16-14-27)24(30)20-17-29(18-9-5-4-6-10-18)25(31)23-22(20)19-11-7-8-12-21(19)26(23)2/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3
InChIKeyIJYFBPUXCZINGY-UHFFFAOYSA-N
XLogP3.78
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one with MolForge

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Related Compounds

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15998477
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15993616
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
2-cyclopentyl-N-(3,3-diethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 46251156
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 20851904
ethyl 4-[9-methyl-2-(2-methylpropyl)-1-oxopyrido[3,4-b]indole-4-carbonyl]piperazine-1-carboxylate
CID 3243588
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4625262

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one?
The IUPAC name of 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one (CID 20851918) is 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one.
What is the SMILES notation for 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one?
The canonical SMILES for 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one is CCN1CCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1.
What is the InChIKey of 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one?
The InChIKey is IJYFBPUXCZINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-27-13-15-28(16-14-27)24(30)20-17-29(18-9-5-4-6-10-18)25(31)23-22(20)19-11-7-8-12-21(19)26(23)2/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one?
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one has a molecular weight of 420.56 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one is sourced from PubChem (CID 20851918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).