N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide

C21H27N3O — CID 6469246

IUPACN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1C
InChIInChI=1S/C21H27N3O/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyNQMPONZEIHEULB-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (PubChem CID 6469246) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
PubChem CID6469246
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1C
InChIInChI=1S/C21H27N3O/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyNQMPONZEIHEULB-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8582755
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (CID 6469246) is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1C.
What is the InChIKey of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The InChIKey is NQMPONZEIHEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6469246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).