N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

C21H24N4O3 — CID 109053601

IUPACN-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H24N4O3/c1-15(26)22-18-7-4-8-19(14-18)23-20(27)16-5-3-6-17(13-16)21(28)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDMHOCLCAROHPLX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.28
Rot. Bonds4

About N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053601) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053601
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H24N4O3/c1-15(26)22-18-7-4-8-19(14-18)23-20(27)16-5-3-6-17(13-16)21(28)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDMHOCLCAROHPLX-UHFFFAOYSA-N
XLogP2.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
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-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158239

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053601) is N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is CC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is DMHOCLCAROHPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)22-18-7-4-8-19(14-18)23-20(27)16-5-3-6-17(13-16)21(28)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).