3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one

C23H28N2O3 — CID 108569450

IUPAC3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-18(2)19-8-10-20(11-9-19)23(27)25-15-13-24(14-16-25)22(26)12-17-28-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyXSYFQDAIIYKXON-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.56
Rot. Bonds6

About 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one

3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 108569450) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID108569450
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-18(2)19-8-10-20(11-9-19)23(27)25-15-13-24(14-16-25)22(26)12-17-28-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyXSYFQDAIIYKXON-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
4-(2-methylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 108569182
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110802801
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866
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
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one (CID 108569450) is 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one is CC(C)c1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is XSYFQDAIIYKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18(2)19-8-10-20(11-9-19)23(27)25-15-13-24(14-16-25)22(26)12-17-28-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.56, 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-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108569450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).