3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide

C21H26N4O2 — CID 57327062

IUPAC3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23(2)21(27)17-8-6-7-16(15-17)20(26)22-18-9-4-5-10-19(18)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26)
InChIKeyHHLTYLJRLQWZNH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.39
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide

3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 57327062) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
PubChem CID57327062
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23(2)21(27)17-8-6-7-16(15-17)20(26)22-18-9-4-5-10-19(18)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26)
InChIKeyHHLTYLJRLQWZNH-UHFFFAOYSA-N
XLogP2.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4288614
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide (CID 57327062) is 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide is CN1CCN(c2ccccc2NC(=O)c2cccc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is HHLTYLJRLQWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23(2)21(27)17-8-6-7-16(15-17)20(26)22-18-9-4-5-10-19(18)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26).
What are the key properties of 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide?
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 57327062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).