3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C15H21N3O2 — CID 28708769

IUPAC3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-11-3-4-13(9-12(11)2)15(20)17-10-14(19)18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyHMABZXKXRGPTFL-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.47
Rot. Bonds3

About 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 28708769) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID28708769
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-11-3-4-13(9-12(11)2)15(20)17-10-14(19)18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyHMABZXKXRGPTFL-UHFFFAOYSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 38607876
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 28708769) is 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is HMABZXKXRGPTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-3-4-13(9-12(11)2)15(20)17-10-14(19)18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 28708769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).