4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

C16H20N4O3 — CID 154861557

IUPAC4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C)C(=O)C1
InChIInChI=1S/C16H20N4O3/c1-11(19-8-7-18(2)15(22)10-19)16(23)20-9-14(21)17-12-5-3-4-6-13(12)20/h3-6,11H,7-10H2,1-2H3,(H,17,21)
InChIKeyAWQABZMKEDPDOU-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.13
Rot. Bonds2

About 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 154861557) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID154861557
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C)C(=O)C1
InChIInChI=1S/C16H20N4O3/c1-11(19-8-7-18(2)15(22)10-19)16(23)20-9-14(21)17-12-5-3-4-6-13(12)20/h3-6,11H,7-10H2,1-2H3,(H,17,21)
InChIKeyAWQABZMKEDPDOU-UHFFFAOYSA-N
XLogP0.13
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95309206
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124618311
4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 24682318
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905
4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406687
ethyl (3S)-1-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-3-carboxylate
CID 31314657
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 154861557) is 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is CC(C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is AWQABZMKEDPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(19-8-7-18(2)15(22)10-19)16(23)20-9-14(21)17-12-5-3-4-6-13(12)20/h3-6,11H,7-10H2,1-2H3,(H,17,21).
What are the key properties of 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 154861557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).