1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one

C22H28N2O2 — CID 15870243

IUPAC1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(CCC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-13-23-15-17-24(18-16-23)14-12-22(25)19-8-10-21(11-9-19)26-20-6-4-3-5-7-20/h3-11H,2,12-18H2,1H3
InChIKeyAENBRKSLNAPIJB-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.08
Rot. Bonds8

About 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one

1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 15870243) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID15870243
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(CCC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-13-23-15-17-24(18-16-23)14-12-22(25)19-8-10-21(11-9-19)26-20-6-4-3-5-7-20/h3-11H,2,12-18H2,1H3
InChIKeyAENBRKSLNAPIJB-UHFFFAOYSA-N
XLogP4.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
3-(4-benzylpiperazin-1-yl)-1-[4-(4-nitrophenoxy)phenyl]propan-1-one
CID 10118742
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
ethyl 4-[3-oxo-3-(4-propoxyphenyl)propyl]piperazine-1-carboxylate chloride
CID 53350564
ethyl 4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carboxylate chloride
CID 53350490

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one (CID 15870243) is 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(CCC(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is AENBRKSLNAPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-13-23-15-17-24(18-16-23)14-12-22(25)19-8-10-21(11-9-19)26-20-6-4-3-5-7-20/h3-11H,2,12-18H2,1H3.
What are the key properties of 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one?
1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 15870243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).