1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C21H24N2O4 — CID 647342

IUPAC1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-16-6-5-7-17(14-16)27-15-20(24)22-10-12-23(13-11-22)21(25)18-8-3-4-9-19(18)26-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFODAEDRKGKSMOM-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 647342) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID647342
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-16-6-5-7-17(14-16)27-15-20(24)22-10-12-23(13-11-22)21(25)18-8-3-4-9-19(18)26-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFODAEDRKGKSMOM-UHFFFAOYSA-N
XLogP2.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 647342) is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is COc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is FODAEDRKGKSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-6-5-7-17(14-16)27-15-20(24)22-10-12-23(13-11-22)21(25)18-8-3-4-9-19(18)26-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 368.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 647342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).