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

C14H22N4O — CID 63884571

IUPAC4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
SMILESCN1CCN(C)C(CNC(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N4O/c1-17-7-8-18(2)13(10-17)9-16-14(19)11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyYLNNRDCAJLFOOG-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.24
Rot. Bonds3

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

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide (PubChem CID 63884571) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
PubChem CID63884571
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
SMILESCN1CCN(C)C(CNC(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N4O/c1-17-7-8-18(2)13(10-17)9-16-14(19)11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyYLNNRDCAJLFOOG-UHFFFAOYSA-N
XLogP0.24
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 121499620
2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63886501
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide (CID 63884571) is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide is CN1CCN(C)C(CNC(=O)c2ccc(N)cc2)C1.
What is the InChIKey of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The InChIKey is YLNNRDCAJLFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-8-18(2)13(10-17)9-16-14(19)11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide is sourced from PubChem (CID 63884571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).