2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide

C20H24ClN3O — CID 1206470

IUPAC2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyGBKVCANDSHLVDN-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 1206470) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID1206470
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyGBKVCANDSHLVDN-UHFFFAOYSA-N
XLogP3.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-4-acetotoluidide
CID 23537
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
2-((2-chlorobenzyl)(3-chloro-4-cyanophenyl)amino)-N,N-dimethylpropanamide
CID 45272341
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
3'-Chloro-P-propionotoluidide
CID 234745

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide (CID 1206470) is 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is GBKVCANDSHLVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 1206470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).