N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

C24H28N4O3 — CID 53043839

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCN(c3nc4ccccc4n(C)c3=O)C2)c1
InChIInChI=1S/C24H28N4O3/c1-27-21-11-4-3-10-20(21)26-22(24(27)30)28-14-6-8-18(16-28)23(29)25-13-12-17-7-5-9-19(15-17)31-2/h3-5,7,9-11,15,18H,6,8,12-14,16H2,1-2H3,(H,25,29)
InChIKeyLKGIRFQXEIYOPQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 53043839) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID53043839
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCN(c3nc4ccccc4n(C)c3=O)C2)c1
InChIInChI=1S/C24H28N4O3/c1-27-21-11-4-3-10-20(21)26-22(24(27)30)28-14-6-8-18(16-28)23(29)25-13-12-17-7-5-9-19(15-17)31-2/h3-5,7,9-11,15,18H,6,8,12-14,16H2,1-2H3,(H,25,29)
InChIKeyLKGIRFQXEIYOPQ-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (CID 53043839) is N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is COc1cccc(CCNC(=O)C2CCCN(c3nc4ccccc4n(C)c3=O)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is LKGIRFQXEIYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-27-21-11-4-3-10-20(21)26-22(24(27)30)28-14-6-8-18(16-28)23(29)25-13-12-17-7-5-9-19(15-17)31-2/h3-5,7,9-11,15,18H,6,8,12-14,16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53043839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).