3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide

C21H26N4O2 — CID 119446970

IUPAC3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)NCCN2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-24(19-8-3-2-4-9-19)21(27)18-7-5-6-17(16-18)20(26)23-12-15-25-13-10-22-11-14-25/h2-9,16,22H,10-15H2,1H3,(H,23,26)
InChIKeyLYEYPOYDXKLVPM-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.60
Rot. Bonds6

About 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide

3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 119446970) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
PubChem CID119446970
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)NCCN2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-24(19-8-3-2-4-9-19)21(27)18-7-5-6-17(16-18)20(26)23-12-15-25-13-10-22-11-14-25/h2-9,16,22H,10-15H2,1H3,(H,23,26)
InChIKeyLYEYPOYDXKLVPM-UHFFFAOYSA-N
XLogP1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide (CID 119446970) is 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)NCCN2CCNCC2)c1)c1ccccc1.
What is the InChIKey of 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is LYEYPOYDXKLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(19-8-3-2-4-9-19)21(27)18-7-5-6-17(16-18)20(26)23-12-15-25-13-10-22-11-14-25/h2-9,16,22H,10-15H2,1H3,(H,23,26).
What are the key properties of 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide?
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 119446970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).