1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone

C17H24N2O3 — CID 46914574

IUPAC1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-12(20)18-7-9-19(10-8-18)16(22)13-5-6-15(21)14(11-13)17(2,3)4/h5-6,11,21H,7-10H2,1-4H3
InChIKeyPMMFXUPCFPOBRE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.99
Rot. Bonds1

About 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone

1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 46914574) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone
PubChem CID46914574
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-12(20)18-7-9-19(10-8-18)16(22)13-5-6-15(21)14(11-13)17(2,3)4/h5-6,11,21H,7-10H2,1-4H3
InChIKeyPMMFXUPCFPOBRE-UHFFFAOYSA-N
XLogP1.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone (CID 46914574) is 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1.
What is the InChIKey of 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is PMMFXUPCFPOBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)18-7-9-19(10-8-18)16(22)13-5-6-15(21)14(11-13)17(2,3)4/h5-6,11,21H,7-10H2,1-4H3.
What are the key properties of 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone?
1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-4-hydroxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46914574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).