1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one

C17H26N2O2 — CID 64978524

IUPAC1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESCCC1CN(C(=O)CCOc2ccccc2)C(CC)CN1
InChIInChI=1S/C17H26N2O2/c1-3-14-13-19(15(4-2)12-18-14)17(20)10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18H,3-4,10-13H2,1-2H3
InChIKeyYJUIPIYPBNZQAS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds6

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

1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one (PubChem CID 64978524) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
PubChem CID64978524
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESCCC1CN(C(=O)CCOc2ccccc2)C(CC)CN1
InChIInChI=1S/C17H26N2O2/c1-3-14-13-19(15(4-2)12-18-14)17(20)10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18H,3-4,10-13H2,1-2H3
InChIKeyYJUIPIYPBNZQAS-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
(2,5-diethylpiperazin-1-yl)-(1H-indol-6-yl)methanone
CID 64978198
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349
2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
CID 64978713

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one (CID 64978524) is 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one is CCC1CN(C(=O)CCOc2ccccc2)C(CC)CN1.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is YJUIPIYPBNZQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-13-19(15(4-2)12-18-14)17(20)10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18H,3-4,10-13H2,1-2H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one?
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 64978524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).