2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone

C19H22N2O2 — CID 863811

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-9-7-17(8-10-18)21-13-11-20(12-14-21)15-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyUSOKYESIBPHMER-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone (PubChem CID 863811) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
PubChem CID863811
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-9-7-17(8-10-18)21-13-11-20(12-14-21)15-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyUSOKYESIBPHMER-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
CID 6369923
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone (CID 863811) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone is COc1ccc(N2CCN(CC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone?
The InChIKey is USOKYESIBPHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-9-7-17(8-10-18)21-13-11-20(12-14-21)15-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone has a molecular weight of 310.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone is sourced from PubChem (CID 863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).