1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one

C14H20N4O — CID 117030577

IUPAC1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1CCN1CCNCC1
InChIInChI=1S/C14H20N4O/c19-14-11-16-12-3-1-2-4-13(12)18(14)10-9-17-7-5-15-6-8-17/h1-4,15-16H,5-11H2
InChIKeyCIOAYXXEYQYWNJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one

1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117030577) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117030577
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1CCN1CCNCC1
InChIInChI=1S/C14H20N4O/c19-14-11-16-12-3-1-2-4-13(12)18(14)10-9-17-7-5-15-6-8-17/h1-4,15-16H,5-11H2
InChIKeyCIOAYXXEYQYWNJ-UHFFFAOYSA-N
XLogP0.35
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one (CID 117030577) is 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1CCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is CIOAYXXEYQYWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-11-16-12-3-1-2-4-13(12)18(14)10-9-17-7-5-15-6-8-17/h1-4,15-16H,5-11H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one?
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).