1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one

C16H22N2O3 — CID 82147379

IUPAC1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(OCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)13-3-5-14(6-4-13)21-12-7-16(20)18-10-8-17-9-11-18/h3-6,17H,2,7-12H2,1H3
InChIKeyCKGUBHQUIWUXPI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds6

About 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one

1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one (PubChem CID 82147379) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
PubChem CID82147379
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(OCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)13-3-5-14(6-4-13)21-12-7-16(20)18-10-8-17-9-11-18/h3-6,17H,2,7-12H2,1H3
InChIKeyCKGUBHQUIWUXPI-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one (CID 82147379) is 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one is CCC(=O)c1ccc(OCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one?
The InChIKey is CKGUBHQUIWUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-15(19)13-3-5-14(6-4-13)21-12-7-16(20)18-10-8-17-9-11-18/h3-6,17H,2,7-12H2,1H3.
What are the key properties of 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one?
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one is sourced from PubChem (CID 82147379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).