4-methoxy-N-(4-methylpiperazin-1-yl)benzamide

C13H19N3O2 — CID 4605350

IUPAC4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O2/c1-15-7-9-16(10-8-15)14-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyWHOQDPJXKQGLDM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds3

About 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide

4-methoxy-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 4605350) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID4605350
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O2/c1-15-7-9-16(10-8-15)14-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyWHOQDPJXKQGLDM-UHFFFAOYSA-N
XLogP0.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
4-(methoxymethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9205030
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9205648
N-(4-methylpiperazin-1-yl)-4-(naphthalen-2-yloxymethyl)benzamide
CID 19578268
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
CID 82344743
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
2-(4-methoxy-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]anilino)acetic acid
CID 25219972
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide (CID 4605350) is 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide is COc1ccc(C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is WHOQDPJXKQGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-7-9-16(10-8-15)14-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,17).
What are the key properties of 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide?
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 4605350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).