3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one

C22H26N2O3 — CID 110398614

IUPAC3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(19-7-3-1-4-8-19)11-13-23-14-16-24(17-15-23)22(26)12-18-27-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyQIPICUUCOJMPFE-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.87
Rot. Bonds8

About 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one

3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one (PubChem CID 110398614) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
PubChem CID110398614
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(19-7-3-1-4-8-19)11-13-23-14-16-24(17-15-23)22(26)12-18-27-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyQIPICUUCOJMPFE-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one (CID 110398614) is 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one is O=C(CCN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one?
The InChIKey is QIPICUUCOJMPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(19-7-3-1-4-8-19)11-13-23-14-16-24(17-15-23)22(26)12-18-27-20-9-5-2-6-10-20/h1-10H,11-18H2.
What are the key properties of 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one?
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one has a molecular weight of 366.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 110398614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).