4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide

C15H24N4O — CID 63898951

IUPAC4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
SMILESCN1CCN(C)C(CNCc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H24N4O/c1-18-7-8-19(2)14(11-18)10-17-9-12-3-5-13(6-4-12)15(16)20/h3-6,14,17H,7-11H2,1-2H3,(H2,16,20)
InChIKeyROTKGOXFLHJKOK-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.12
Rot. Bonds5

About 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide

4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide (PubChem CID 63898951) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
PubChem CID63898951
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
SMILESCN1CCN(C)C(CNCc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H24N4O/c1-18-7-8-19(2)14(11-18)10-17-9-12-3-5-13(6-4-12)15(16)20/h3-6,14,17H,7-11H2,1-2H3,(H2,16,20)
InChIKeyROTKGOXFLHJKOK-UHFFFAOYSA-N
XLogP0.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897058

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide (CID 63898951) is 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide is CN1CCN(C)C(CNCc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide?
The InChIKey is ROTKGOXFLHJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-7-8-19(2)14(11-18)10-17-9-12-3-5-13(6-4-12)15(16)20/h3-6,14,17H,7-11H2,1-2H3,(H2,16,20).
What are the key properties of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide?
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 63898951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).