2-methyl-4-(3-methylpiperazin-1-yl)benzamide

C13H19N3O — CID 81279360

IUPAC2-methyl-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cc(N2CCNC(C)C2)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)17)16-6-5-15-10(2)8-16/h3-4,7,10,15H,5-6,8H2,1-2H3,(H2,14,17)
InChIKeyUATYTAMKDBJAMW-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds2

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

2-methyl-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 81279360) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID81279360
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cc(N2CCNC(C)C2)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)17)16-6-5-15-10(2)8-16/h3-4,7,10,15H,5-6,8H2,1-2H3,(H2,14,17)
InChIKeyUATYTAMKDBJAMW-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 70155537
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
3-chloro-4-(3-methylpiperazin-1-yl)benzamide
CID 65449432
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 81274508
1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid
CID 106742731
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
methyl 2-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]benzoate
CID 118432216
2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]aniline
CID 174945496
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
CID 175838980
2-methyl-4-(3-oxopiperazin-1-yl)benzenecarbothioamide
CID 81278447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)benzamide (CID 81279360) is 2-methyl-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-methyl-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-methyl-4-(3-methylpiperazin-1-yl)benzamide is Cc1cc(N2CCNC(C)C2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is UATYTAMKDBJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)17)16-6-5-15-10(2)8-16/h3-4,7,10,15H,5-6,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-methyl-4-(3-methylpiperazin-1-yl)benzamide?
2-methyl-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 81279360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).