1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

C18H22N4O3 — CID 70706294

IUPAC1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nccc3C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14-7-8-19-22(14)13-17(23)20-9-11-21(12-10-20)18(24)15-3-5-16(25-2)6-4-15/h3-8H,9-13H2,1-2H3
InChIKeyCYZHRNYHSLPSET-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.18
Rot. Bonds4

About 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 70706294) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID70706294
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nccc3C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14-7-8-19-22(14)13-17(23)20-9-11-21(12-10-20)18(24)15-3-5-16(25-2)6-4-15/h3-8H,9-13H2,1-2H3
InChIKeyCYZHRNYHSLPSET-UHFFFAOYSA-N
XLogP1.18
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 70706294) is 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is COc1ccc(C(=O)N2CCN(C(=O)Cn3nccc3C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is CYZHRNYHSLPSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14-7-8-19-22(14)13-17(23)20-9-11-21(12-10-20)18(24)15-3-5-16(25-2)6-4-15/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70706294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).