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

C18H26N2O3 — CID 110761321

IUPAC1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-13(21)19-8-10-20(11-9-19)17(22)15-12-14(18(2,3)4)6-7-16(15)23-5/h6-7,12H,8-11H2,1-5H3
InChIKeyHCFRXLRUXYTRKZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds2

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

1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 110761321) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID110761321
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-13(21)19-8-10-20(11-9-19)17(22)15-12-14(18(2,3)4)6-7-16(15)23-5/h6-7,12H,8-11H2,1-5H3
InChIKeyHCFRXLRUXYTRKZ-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815091
4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812357
[2-methoxy-5-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 164894079
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801424
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone (CID 110761321) is 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone is COc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is HCFRXLRUXYTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)19-8-10-20(11-9-19)17(22)15-12-14(18(2,3)4)6-7-16(15)23-5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone?
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110761321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).