1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one

C20H24N2O2 — CID 90876902

IUPAC1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-2-20(23)22-14-12-21(13-15-22)18-8-10-19(11-9-18)24-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyUFQMHINWSXAPRE-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one

1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 90876902) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID90876902
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-2-20(23)22-14-12-21(13-15-22)18-8-10-19(11-9-18)24-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyUFQMHINWSXAPRE-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
4-[4-[2-(4-phenylmethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720577
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 58462415
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
acetic acid;[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 66886796

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one (CID 90876902) is 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UFQMHINWSXAPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-20(23)22-14-12-21(13-15-22)18-8-10-19(11-9-18)24-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one?
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 90876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).