3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C20H23N3O2 — CID 26157849

IUPAC3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-6-16(13-15)19(24)21-18-8-4-7-17(14-18)20(25)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyQIDMYFABIJGMOI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.63
Rot. Bonds3

About 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 26157849) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID26157849
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-6-16(13-15)19(24)21-18-8-4-7-17(14-18)20(25)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyQIDMYFABIJGMOI-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158239
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 26157849) is 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is QIDMYFABIJGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-3-6-16(13-15)19(24)21-18-8-4-7-17(14-18)20(25)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26157849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).