4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one

C20H24N2O2 — CID 2290599

IUPAC4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(12-7-17-24-19-10-5-2-6-11-19)22-15-13-21(14-16-22)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2
InChIKeyCSIOXUQIAQPNRS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.19
Rot. Bonds6

About 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one

4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one (PubChem CID 2290599) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
PubChem CID2290599
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(12-7-17-24-19-10-5-2-6-11-19)22-15-13-21(14-16-22)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2
InChIKeyCSIOXUQIAQPNRS-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 2164014

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one (CID 2290599) is 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one is O=C(CCCOc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one?
The InChIKey is CSIOXUQIAQPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(12-7-17-24-19-10-5-2-6-11-19)22-15-13-21(14-16-22)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2.
What are the key properties of 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one?
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 2290599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).