1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone

C15H20N2O3 — CID 110761022

IUPAC1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C15H20N2O3/c1-11-10-13(4-5-14(11)20-3)15(19)17-8-6-16(7-9-17)12(2)18/h4-5,10H,6-9H2,1-3H3
InChIKeyZASJDMCVLUZSKI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.31
Rot. Bonds2

About 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone

1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110761022) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110761022
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C15H20N2O3/c1-11-10-13(4-5-14(11)20-3)15(19)17-8-6-16(7-9-17)12(2)18/h4-5,10H,6-9H2,1-3H3
InChIKeyZASJDMCVLUZSKI-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone (CID 110761022) is 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C.
What is the InChIKey of 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is ZASJDMCVLUZSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-10-13(4-5-14(11)20-3)15(19)17-8-6-16(7-9-17)12(2)18/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110761022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).