4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide

C21H26N4O2 — CID 55409462

IUPAC4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-22-21(27)18-7-9-19(10-8-18)23-20(26)16-25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)
InChIKeyCDFDBUOVYRLBPV-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.80
Rot. Bonds6

About 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide

4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 55409462) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
PubChem CID55409462
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-22-21(27)18-7-9-19(10-8-18)23-20(26)16-25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)
InChIKeyCDFDBUOVYRLBPV-UHFFFAOYSA-N
XLogP1.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-(carboxymethyl)-7-[[4-(methylcarbamoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 177187623
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide (CID 55409462) is 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is CDFDBUOVYRLBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-21(27)18-7-9-19(10-8-18)23-20(26)16-25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide?
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55409462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).