3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one

C22H24N2O3 — CID 108569437

IUPAC3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(12-11-19-7-3-1-4-8-19)23-14-16-24(17-15-23)22(26)13-18-27-20-9-5-2-6-10-20/h1-12H,13-18H2/b12-11+
InChIKeyZSUKPAUKHFYNNN-VAWYXSNFSA-N
MW364.44 g/mol
LogP2.84
Rot. Bonds6

About 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one

3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one (PubChem CID 108569437) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
PubChem CID108569437
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(12-11-19-7-3-1-4-8-19)23-14-16-24(17-15-23)22(26)13-18-27-20-9-5-2-6-10-20/h1-12H,13-18H2/b12-11+
InChIKeyZSUKPAUKHFYNNN-VAWYXSNFSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
(E)-3-(4-methylphenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 55359738
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one (CID 108569437) is 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one is O=C(/C=C/c1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZSUKPAUKHFYNNN-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(12-11-19-7-3-1-4-8-19)23-14-16-24(17-15-23)22(26)13-18-27-20-9-5-2-6-10-20/h1-12H,13-18H2/b12-11+.
What are the key properties of 3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one?
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one has a molecular weight of 364.44 g/mol, XLogP of 2.84, 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-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108569437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).