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

C23H28N2O3 — CID 110366673

IUPAC1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1ccc(C(=O)CN2CCN(C(=O)CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-18-8-9-21(19(2)16-18)22(26)17-24-11-13-25(14-12-24)23(27)10-15-28-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3
InChIKeyWBXLFYFLNAALOC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.10
Rot. Bonds7

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

1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110366673) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110366673
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1ccc(C(=O)CN2CCN(C(=O)CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-18-8-9-21(19(2)16-18)22(26)17-24-11-13-25(14-12-24)23(27)10-15-28-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3
InChIKeyWBXLFYFLNAALOC-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110366695
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
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
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one (CID 110366673) is 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one is Cc1ccc(C(=O)CN2CCN(C(=O)CCOc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is WBXLFYFLNAALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18-8-9-21(19(2)16-18)22(26)17-24-11-13-25(14-12-24)23(27)10-15-28-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110366673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).