1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one

C21H23ClN2O3 — CID 110358802

IUPAC1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-6-17(7-9-18)20(25)16-23-11-13-24(14-12-23)21(26)10-15-27-19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyTYHQMIWOZYHDOG-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110358802) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110358802
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-6-17(7-9-18)20(25)16-23-11-13-24(14-12-23)21(26)10-15-27-19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyTYHQMIWOZYHDOG-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110358796
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110366673
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one (CID 110358802) is 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one is O=C(CN1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is TYHQMIWOZYHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-8-6-17(7-9-18)20(25)16-23-11-13-24(14-12-23)21(26)10-15-27-19-4-2-1-3-5-19/h1-9H,10-16H2.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 386.88 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110358802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).