3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide

C15H22N4O2 — CID 61018701

IUPAC3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22N4O2/c1-11-9-12(15(16)21)3-4-13(11)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3,(H2,16,21)
InChIKeyXFHMARWAUGLWRF-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.04
Rot. Bonds4

About 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide

3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide (PubChem CID 61018701) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
PubChem CID61018701
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22N4O2/c1-11-9-12(15(16)21)3-4-13(11)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3,(H2,16,21)
InChIKeyXFHMARWAUGLWRF-UHFFFAOYSA-N
XLogP-0.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
5-fluoro-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 63674652
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
N,3-dimethyl-4-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454749
2-(N,3-dimethyl-4-nitroanilino)-1-piperazin-1-ylethanone
CID 61018161
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The IUPAC name of 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide (CID 61018701) is 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide.
What is the SMILES notation for 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The canonical SMILES for 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide is Cc1cc(C(N)=O)ccc1N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
The InChIKey is XFHMARWAUGLWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-9-12(15(16)21)3-4-13(11)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3,(H2,16,21).
What are the key properties of 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide?
3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide has a molecular weight of 290.37 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide is sourced from PubChem (CID 61018701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).