N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

C21H25N3O2 — CID 109053559

IUPACN-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-4-7-16(2)19(15)22-20(25)17-8-5-9-18(14-17)21(26)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyJLARGFYRUWYFEB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.94
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053559) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053559
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-4-7-16(2)19(15)22-20(25)17-8-5-9-18(14-17)21(26)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyJLARGFYRUWYFEB-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86783956

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053559) is N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is Cc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is JLARGFYRUWYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-6-4-7-16(2)19(15)22-20(25)17-8-5-9-18(14-17)21(26)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).