4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide

C15H24N4O2 — CID 104782948

IUPAC4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CN(C)CCN2C)ccc1N
InChIInChI=1S/C15H24N4O2/c1-18-6-7-19(2)12(10-18)9-17-15(20)11-4-5-13(16)14(8-11)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyMGZHICCTAOWHGO-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.25
Rot. Bonds4

About 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide (PubChem CID 104782948) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
PubChem CID104782948
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CN(C)CCN2C)ccc1N
InChIInChI=1S/C15H24N4O2/c1-18-6-7-19(2)12(10-18)9-17-15(20)11-4-5-13(16)14(8-11)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyMGZHICCTAOWHGO-UHFFFAOYSA-N
XLogP0.25
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]benzamide
CID 63884571
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
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
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide (CID 104782948) is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCC2CN(C)CCN2C)ccc1N.
What is the InChIKey of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is MGZHICCTAOWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18-6-7-19(2)12(10-18)9-17-15(20)11-4-5-13(16)14(8-11)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide?
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 104782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).