1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide

C28H32N4O4 — CID 22522868

IUPAC1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)c(OC)c1OC
InChIInChI=1S/C28H32N4O4/c1-34-24-11-10-19(25(35-2)26(24)36-3)12-15-29-28(33)20-13-17-31(18-14-20)27-23-9-6-16-32(23)22-8-5-4-7-21(22)30-27/h4-11,16,20H,12-15,17-18H2,1-3H3,(H,29,33)
InChIKeyHXUCEIZOOOKCNH-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.09
Rot. Bonds8

About 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide

1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 22522868) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID22522868
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)c(OC)c1OC
InChIInChI=1S/C28H32N4O4/c1-34-24-11-10-19(25(35-2)26(24)36-3)12-15-29-28(33)20-13-17-31(18-14-20)27-23-9-6-16-32(23)22-8-5-4-7-21(22)30-27/h4-11,16,20H,12-15,17-18H2,1-3H3,(H,29,33)
InChIKeyHXUCEIZOOOKCNH-UHFFFAOYSA-N
XLogP4.09
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522846
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522822
N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
CID 22432514
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882892

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 22522868) is 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)c(OC)c1OC.
What is the InChIKey of 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is HXUCEIZOOOKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-34-24-11-10-19(25(35-2)26(24)36-3)12-15-29-28(33)20-13-17-31(18-14-20)27-23-9-6-16-32(23)22-8-5-4-7-21(22)30-27/h4-11,16,20H,12-15,17-18H2,1-3H3,(H,29,33).
What are the key properties of 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide?
1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 22522868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).