2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

C15H19N3O3 — CID 175155114

IUPAC2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCNC(=O)C2)c1C
InChIInChI=1S/C15H19N3O3/c1-10-4-3-5-12(11(10)2)15(21)17-8-14(20)18-7-6-16-13(19)9-18/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyBQXRCOXLRTVXIO-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.01
Rot. Bonds3

About 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (PubChem CID 175155114) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
PubChem CID175155114
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCNC(=O)C2)c1C
InChIInChI=1S/C15H19N3O3/c1-10-4-3-5-12(11(10)2)15(21)17-8-14(20)18-7-6-16-13(19)9-18/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyBQXRCOXLRTVXIO-UHFFFAOYSA-N
XLogP-0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (CID 175155114) is 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N2CCNC(=O)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The InChIKey is BQXRCOXLRTVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-4-3-5-12(11(10)2)15(21)17-8-14(20)18-7-6-16-13(19)9-18/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 175155114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).