3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one

C15H20N4O2 — CID 104615006

IUPAC3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C15H20N4O2/c1-15(2)14(21)18-8-9-19(15)13(20)10-4-3-5-11-12(10)17-7-6-16-11/h3-5,16-17H,6-9H2,1-2H3,(H,18,21)
InChIKeyNSDBKEFQGPJKPC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds1

About 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one

3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one (PubChem CID 104615006) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
PubChem CID104615006
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C15H20N4O2/c1-15(2)14(21)18-8-9-19(15)13(20)10-4-3-5-11-12(10)17-7-6-16-11/h3-5,16-17H,6-9H2,1-2H3,(H,18,21)
InChIKeyNSDBKEFQGPJKPC-UHFFFAOYSA-N
XLogP0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one (CID 104615006) is 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cccc2c1NCCN2.
What is the InChIKey of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one?
The InChIKey is NSDBKEFQGPJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2)14(21)18-8-9-19(15)13(20)10-4-3-5-11-12(10)17-7-6-16-11/h3-5,16-17H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one has a molecular weight of 288.35 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 104615006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).