N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

C21H22N4O2 — CID 16875982

IUPACN-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-27-17-6-4-5-16(13-17)23-21(26)15-9-11-25(12-10-15)20-14-22-18-7-2-3-8-19(18)24-20/h2-8,13-15H,9-12H2,1H3,(H,23,26)
InChIKeyHCNFBDRAMMXXMA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.49
Rot. Bonds4

About N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (PubChem CID 16875982) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
PubChem CID16875982
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-27-17-6-4-5-16(13-17)23-21(26)15-9-11-25(12-10-15)20-14-22-18-7-2-3-8-19(18)24-20/h2-8,13-15H,9-12H2,1H3,(H,23,26)
InChIKeyHCNFBDRAMMXXMA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (CID 16875982) is N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The InChIKey is HCNFBDRAMMXXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-17-6-4-5-16(13-17)23-21(26)15-9-11-25(12-10-15)20-14-22-18-7-2-3-8-19(18)24-20/h2-8,13-15H,9-12H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 16875982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).