2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C21H34N4O — CID 57442534

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C)c(N2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O/c1-17(2)23-11-13-25(14-12-23)21(26)16-22-7-9-24(10-8-22)20-15-18(3)5-6-19(20)4/h5-6,15,17H,7-14,16H2,1-4H3
InChIKeyUMYNQJGKXQUBIH-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442534) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442534
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C)c(N2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O/c1-17(2)23-11-13-25(14-12-23)21(26)16-22-7-9-24(10-8-22)20-15-18(3)5-6-19(20)4/h5-6,15,17H,7-14,16H2,1-4H3
InChIKeyUMYNQJGKXQUBIH-UHFFFAOYSA-N
XLogP1.98
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
CID 1439313
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53336565
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone
CID 4206419
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442534) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is Cc1ccc(C)c(N2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UMYNQJGKXQUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17(2)23-11-13-25(14-12-23)21(26)16-22-7-9-24(10-8-22)20-15-18(3)5-6-19(20)4/h5-6,15,17H,7-14,16H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 358.53 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).