4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide

C16H26N4O — CID 114480343

IUPAC4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1CN(C)CCN1C
InChIInChI=1S/C16H26N4O/c1-12-8-13(16(17)21)4-5-14(12)9-18-10-15-11-19(2)6-7-20(15)3/h4-5,8,15,18H,6-7,9-11H2,1-3H3,(H2,17,21)
InChIKeyAIKBOBQSBXCLEW-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.43
Rot. Bonds5

About 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide

4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114480343) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
PubChem CID114480343
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1CN(C)CCN1C
InChIInChI=1S/C16H26N4O/c1-12-8-13(16(17)21)4-5-14(12)9-18-10-15-11-19(2)6-7-20(15)3/h4-5,8,15,18H,6-7,9-11H2,1-3H3,(H2,17,21)
InChIKeyAIKBOBQSBXCLEW-UHFFFAOYSA-N
XLogP0.43
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
CID 114503397
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide (CID 114480343) is 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCC1CN(C)CCN1C.
What is the InChIKey of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is AIKBOBQSBXCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-8-13(16(17)21)4-5-14(12)9-18-10-15-11-19(2)6-7-20(15)3/h4-5,8,15,18H,6-7,9-11H2,1-3H3,(H2,17,21).
What are the key properties of 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide?
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).