1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone

C22H29N3O2 — CID 108998529

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-5-4-6-21(18(17)2)24-11-13-25(14-12-24)22(26)16-23-15-19-7-9-20(27-3)10-8-19/h4-10,23H,11-16H2,1-3H3
InChIKeyCTKMZEBSMBPDCQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.75
Rot. Bonds6

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone (PubChem CID 108998529) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
PubChem CID108998529
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-5-4-6-21(18(17)2)24-11-13-25(14-12-24)22(26)16-23-15-19-7-9-20(27-3)10-8-19/h4-10,23H,11-16H2,1-3H3
InChIKeyCTKMZEBSMBPDCQ-UHFFFAOYSA-N
XLogP2.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109003043
2-(2,4-dimethoxyanilino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004267
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one
CID 2509747
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methoxypropylamino)ethanone
CID 108994088
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
3-(3,5-dimethoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708471
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(pentylamino)ethanone
CID 109004221
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994487
2-(tert-butylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004217

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone (CID 108998529) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone is COc1ccc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone?
The InChIKey is CTKMZEBSMBPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-5-4-6-21(18(17)2)24-11-13-25(14-12-24)22(26)16-23-15-19-7-9-20(27-3)10-8-19/h4-10,23H,11-16H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone has a molecular weight of 367.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 108998529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).