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

C24H29N3O5 — CID 3243389

IUPACethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C24H29N3O5/c1-4-32-24(30)16-9-11-26(12-10-16)22(28)18-15-27(13-14-31-3)23(29)21-20(18)17-7-5-6-8-19(17)25(21)2/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyLKIVVHXRUQIQSS-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.55
Rot. Bonds6

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

ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 3243389) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate
PubChem CID3243389
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C24H29N3O5/c1-4-32-24(30)16-9-11-26(12-10-16)22(28)18-15-27(13-14-31-3)23(29)21-20(18)17-7-5-6-8-19(17)25(21)2/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyLKIVVHXRUQIQSS-UHFFFAOYSA-N
XLogP2.55
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate (CID 3243389) is ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1.
What is the InChIKey of ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is LKIVVHXRUQIQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-4-32-24(30)16-9-11-26(12-10-16)22(28)18-15-27(13-14-31-3)23(29)21-20(18)17-7-5-6-8-19(17)25(21)2/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methoxyethyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 3243389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).