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

C23H31N3O — CID 108998972

IUPACN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H31N3O/c1-4-25(17-21-10-6-5-7-11-21)23(27)18-24-13-15-26(16-14-24)22-12-8-9-19(2)20(22)3/h5-12H,4,13-18H2,1-3H3
InChIKeyGSUPFBLVNFLYRH-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.47
Rot. Bonds6

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

N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 108998972) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
PubChem CID108998972
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H31N3O/c1-4-25(17-21-10-6-5-7-11-21)23(27)18-24-13-15-26(16-14-24)22-12-8-9-19(2)20(22)3/h5-12H,4,13-18H2,1-3H3
InChIKeyGSUPFBLVNFLYRH-UHFFFAOYSA-N
XLogP3.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 55409638
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide (CID 108998972) is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is GSUPFBLVNFLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-25(17-21-10-6-5-7-11-21)23(27)18-24-13-15-26(16-14-24)22-12-8-9-19(2)20(22)3/h5-12H,4,13-18H2,1-3H3.
What are the key properties of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide?
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 365.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 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]-N-ethylacetamide is sourced from PubChem (CID 108998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).