3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

C16H22N2O2 — CID 113072705

IUPAC3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-9-17-10-12-18(13-11-17)16(19)8-14-20-15-6-4-3-5-7-15/h2-7H,1,8-14H2
InChIKeyOMVGXNPVAIWCHJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds6

About 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (PubChem CID 113072705) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
PubChem CID113072705
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-9-17-10-12-18(13-11-17)16(19)8-14-20-15-6-4-3-5-7-15/h2-7H,1,8-14H2
InChIKeyOMVGXNPVAIWCHJ-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-phenoxy-1-(4-prop-2-enyl-1,4-diazepan-1-yl)propan-1-one
CID 95749959
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
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-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108569437
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (CID 113072705) is 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is C=CCN1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The InChIKey is OMVGXNPVAIWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-9-17-10-12-18(13-11-17)16(19)8-14-20-15-6-4-3-5-7-15/h2-7H,1,8-14H2.
What are the key properties of 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 113072705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).