N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

C21H25N3O2 — CID 109053558

IUPACN-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15-11-16(2)13-19(12-15)22-20(25)17-5-4-6-18(14-17)21(26)24-9-7-23(3)8-10-24/h4-6,11-14H,7-10H2,1-3H3,(H,22,25)
InChIKeyHHADWRLFQQRGFJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.94
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053558) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053558
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15-11-16(2)13-19(12-15)22-20(25)17-5-4-6-18(14-17)21(26)24-9-7-23(3)8-10-24/h4-6,11-14H,7-10H2,1-3H3,(H,22,25)
InChIKeyHHADWRLFQQRGFJ-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

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3,5-dimethylphenyl)benzamide
CID 109055346
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053558) is N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is HHADWRLFQQRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-11-16(2)13-19(12-15)22-20(25)17-5-4-6-18(14-17)21(26)24-9-7-23(3)8-10-24/h4-6,11-14H,7-10H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-(3,5-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-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).