1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one

C14H18N4O2 — CID 107356256

IUPAC1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
SMILESCN1CCN(C(=O)C2CNc3ccccc3N2)CC1=O
InChIInChI=1S/C14H18N4O2/c1-17-6-7-18(9-13(17)19)14(20)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,12,15-16H,6-9H2,1H3
InChIKeyRMZWNQORDPYFSF-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.19
Rot. Bonds1

About 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one

1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one (PubChem CID 107356256) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
PubChem CID107356256
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
SMILESCN1CCN(C(=O)C2CNc3ccccc3N2)CC1=O
InChIInChI=1S/C14H18N4O2/c1-17-6-7-18(9-13(17)19)14(20)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,12,15-16H,6-9H2,1H3
InChIKeyRMZWNQORDPYFSF-UHFFFAOYSA-N
XLogP0.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one (CID 107356256) is 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one is CN1CCN(C(=O)C2CNc3ccccc3N2)CC1=O.
What is the InChIKey of 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one?
The InChIKey is RMZWNQORDPYFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-6-7-18(9-13(17)19)14(20)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,12,15-16H,6-9H2,1H3.
What are the key properties of 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one?
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 107356256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).