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

C19H28N2O3 — CID 110761833

IUPAC1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-13-11-17(24-6)16(19(3,4)5)12-15(13)18(23)21-9-7-20(8-10-21)14(2)22/h11-12H,7-10H2,1-6H3
InChIKeyIBWYQKVGGDYMEG-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.61
Rot. Bonds2

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

1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110761833) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110761833
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-13-11-17(24-6)16(19(3,4)5)12-15(13)18(23)21-9-7-20(8-10-21)14(2)22/h11-12H,7-10H2,1-6H3
InChIKeyIBWYQKVGGDYMEG-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
3-[2-(4-acetylpiperazine-1-carbonyl)-5-tert-butyl-4-methoxyphenyl]-1H-pyridin-2-one
CID 46195906
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone (CID 110761833) is 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone is COc1cc(C)c(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)(C)C.
What is the InChIKey of 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is IBWYQKVGGDYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-11-17(24-6)16(19(3,4)5)12-15(13)18(23)21-9-7-20(8-10-21)14(2)22/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.61, 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-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110761833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).