2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide

C15H24N4O — CID 63897503

IUPAC2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC2CN(C)CCN2C)c1
InChIInChI=1S/C15H24N4O/c1-11-4-5-14(16)13(8-11)15(20)17-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyCGVFCGNVBYYGBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide (PubChem CID 63897503) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
PubChem CID63897503
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC2CN(C)CCN2C)c1
InChIInChI=1S/C15H24N4O/c1-11-4-5-14(16)13(8-11)15(20)17-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyCGVFCGNVBYYGBR-UHFFFAOYSA-N
XLogP0.55
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.55
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

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
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
methyl 2-amino-5-[(1,4-dimethylpiperazin-2-yl)methylamino]benzoate
CID 63899023
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide (CID 63897503) is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC2CN(C)CCN2C)c1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide?
The InChIKey is CGVFCGNVBYYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-4-5-14(16)13(8-11)15(20)17-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide?
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 63897503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).