N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

C21H26N4O2 — CID 34735853

IUPACN-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-4-3-5-19(14-16)25-12-10-24(11-13-25)15-20(26)23-18-8-6-17(7-9-18)21(27)22-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyIWAHSDOLOHUNEL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 34735853) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID34735853
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-4-3-5-19(14-16)25-12-10-24(11-13-25)15-20(26)23-18-8-6-17(7-9-18)21(27)22-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyIWAHSDOLOHUNEL-UHFFFAOYSA-N
XLogP2.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131925701
4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 27157023
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 34735853) is N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is IWAHSDOLOHUNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-4-3-5-19(14-16)25-12-10-24(11-13-25)15-20(26)23-18-8-6-17(7-9-18)21(27)22-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 34735853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).