1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one

C22H25N5O2 — CID 136547047

IUPAC1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)Cc3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C22H25N5O2/c1-16(13-17-14-23-19-5-3-4-6-20(19)25-17)22(28)27-11-9-26(10-12-27)21-8-7-18(29-2)15-24-21/h3-8,14-16H,9-13H2,1-2H3
InChIKeyOERFLXYDKBIUCA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one

1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one (PubChem CID 136547047) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
PubChem CID136547047
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)Cc3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C22H25N5O2/c1-16(13-17-14-23-19-5-3-4-6-20(19)25-17)22(28)27-11-9-26(10-12-27)21-8-7-18(29-2)15-24-21/h3-8,14-16H,9-13H2,1-2H3
InChIKeyOERFLXYDKBIUCA-UHFFFAOYSA-N
XLogP2.56
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one with MolForge

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Related Compounds

(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
CID 167866721
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
3-(2-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110298802
2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione
CID 108741363
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
CID 25491118
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23744577
[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136551075
1-quinoxalin-2-ylpropan-2-ol
CID 63201625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The IUPAC name of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one (CID 136547047) is 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one is COc1ccc(N2CCN(C(=O)C(C)Cc3cnc4ccccc4n3)CC2)nc1.
What is the InChIKey of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The InChIKey is OERFLXYDKBIUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(13-17-14-23-19-5-3-4-6-20(19)25-17)22(28)27-11-9-26(10-12-27)21-8-7-18(29-2)15-24-21/h3-8,14-16H,9-13H2,1-2H3.
What are the key properties of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one?
1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one is sourced from PubChem (CID 136547047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).