3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

C19H26N4O2 — CID 53131523

IUPAC3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-4-9-23-16-8-6-5-7-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyVLETXTJOBHEYAM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.11
Rot. Bonds4

About 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131523) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131523
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-4-9-23-16-8-6-5-7-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyVLETXTJOBHEYAM-UHFFFAOYSA-N
XLogP2.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131523) is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is VLETXTJOBHEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-9-23-16-8-6-5-7-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14(2)3/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).