2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide

C14H21N3O — CID 9204739

IUPAC2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C)c(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-11-4-5-12(2)13(10-11)14(18)15-17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyKJVOWSOGDWAPQF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds2

About 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide

2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 9204739) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID9204739
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C)c(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-11-4-5-12(2)13(10-11)14(18)15-17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyKJVOWSOGDWAPQF-UHFFFAOYSA-N
XLogP1.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
N-(2,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968828
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
N',2,5-trimethylbenzohydrazide
CID 116846828
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide (CID 9204739) is 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(C)c(C(=O)NN2CCN(C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is KJVOWSOGDWAPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-5-12(2)13(10-11)14(18)15-17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,15,18).
What are the key properties of 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide?
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 9204739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).