1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one

C18H28N2O — CID 64978172

IUPAC1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCCC1CN(C(=O)CCc2cccc(C)c2)C(CC)CN1
InChIInChI=1S/C18H28N2O/c1-4-16-13-20(17(5-2)12-19-16)18(21)10-9-15-8-6-7-14(3)11-15/h6-8,11,16-17,19H,4-5,9-10,12-13H2,1-3H3
InChIKeyQFTLLWCTZHSRKY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.92
Rot. Bonds5

About 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one

1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one (PubChem CID 64978172) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
PubChem CID64978172
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCCC1CN(C(=O)CCc2cccc(C)c2)C(CC)CN1
InChIInChI=1S/C18H28N2O/c1-4-16-13-20(17(5-2)12-19-16)18(21)10-9-15-8-6-7-14(3)11-15/h6-8,11,16-17,19H,4-5,9-10,12-13H2,1-3H3
InChIKeyQFTLLWCTZHSRKY-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
CID 66062306
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
1-[2-(chloromethyl)pyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 55187996
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122331753
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 62366943
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 64978366
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one (CID 64978172) is 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one is CCC1CN(C(=O)CCc2cccc(C)c2)C(CC)CN1.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is QFTLLWCTZHSRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-16-13-20(17(5-2)12-19-16)18(21)10-9-15-8-6-7-14(3)11-15/h6-8,11,16-17,19H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 64978172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).