1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C13H18N2O2 — CID 831828

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyAVCQLYXAEKNILW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds2

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 831828) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID831828
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyAVCQLYXAEKNILW-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
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

N-(4-Methoxyphenyl)Acetamide
CID 5827
1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone
CID 712441
1-(4-Methoxyphenyl)piperazine
CID 269722
1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
Ucm 793
CID 24750192
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
Propetamide
CID 68937
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Para-methoxybutyryl fentanyl
CID 118796493

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 831828) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is AVCQLYXAEKNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.36, 2 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]ethanone is sourced from PubChem (CID 831828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).