N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

C21H22N4O2 — CID 46249398

IUPACN-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H22N4O2/c1-27-18-12-6-5-11-17(18)24-21(26)19-20(25-13-7-2-8-14-25)23-16-10-4-3-9-15(16)22-19/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,24,26)
InChIKeyWCJVPCLKSPEEOC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.88
Rot. Bonds4

About N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (PubChem CID 46249398) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
PubChem CID46249398
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H22N4O2/c1-27-18-12-6-5-11-17(18)24-21(26)19-20(25-13-7-2-8-14-25)23-16-10-4-3-9-15(16)22-19/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,24,26)
InChIKeyWCJVPCLKSPEEOC-UHFFFAOYSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 10363553
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
6-Ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 155533199
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
6-Ethyl-5-[(4-hydroxycyclohexyl)amino]-3-[4-methoxy-3-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 66642810
6-Ethyl-3-[4-(4-ethylpiperazin-1-yl)anilino]-5-[3-(prop-2-enoylamino)phenoxy]pyrazine-2-carboxamide
CID 71667667
6-[(2-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457749
6-[(2-methoxy-N-methyl-anilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462101
2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 649329
Quinoxaline-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 11112574
N-(2-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991426

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (CID 46249398) is N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is COc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The InChIKey is WCJVPCLKSPEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-12-6-5-11-17(18)24-21(26)19-20(25-13-7-2-8-14-25)23-16-10-4-3-9-15(16)22-19/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46249398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).