3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide

C15H24N4O — CID 63031426

IUPAC3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
SMILESCN1CCN(CCNCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-9-19(10-8-18)6-5-17-12-13-3-2-4-14(11-13)15(16)20/h2-4,11,17H,5-10,12H2,1H3,(H2,16,20)
InChIKeyVWUFVZWANMAUCB-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.12
Rot. Bonds6

About 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide

3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide (PubChem CID 63031426) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
PubChem CID63031426
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
SMILESCN1CCN(CCNCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-9-19(10-8-18)6-5-17-12-13-3-2-4-14(11-13)15(16)20/h2-4,11,17H,5-10,12H2,1H3,(H2,16,20)
InChIKeyVWUFVZWANMAUCB-UHFFFAOYSA-N
XLogP0.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
3-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]benzoic acid
CID 122030247

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide (CID 63031426) is 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide is CN1CCN(CCNCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide?
The InChIKey is VWUFVZWANMAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-7-9-19(10-8-18)6-5-17-12-13-3-2-4-14(11-13)15(16)20/h2-4,11,17H,5-10,12H2,1H3,(H2,16,20).
What are the key properties of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide?
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 63031426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).