1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H24N2O2 — CID 937377

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-8-18(9-11-19)21-13-15-22(16-14-21)20(23)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyRXRLSEUJROWCQL-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 937377) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID937377
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-8-18(9-11-19)21-13-15-22(16-14-21)20(23)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyRXRLSEUJROWCQL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 937377) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one is COc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RXRLSEUJROWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-8-18(9-11-19)21-13-15-22(16-14-21)20(23)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 937377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).