1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

C20H30N2O4 — CID 108536440

IUPAC1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)17-7-5-16(6-8-17)19(24)22-11-9-21(10-12-22)18(23)15-26-14-13-25-4/h5-8H,9-15H2,1-4H3
InChIKeyVVLBAJRHYITXQU-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 108536440) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID108536440
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)17-7-5-16(6-8-17)19(24)22-11-9-21(10-12-22)18(23)15-26-14-13-25-4/h5-8H,9-15H2,1-4H3
InChIKeyVVLBAJRHYITXQU-UHFFFAOYSA-N
XLogP1.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzoyl-1,4-diazepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 108547755
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56805511
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366126
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
1-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 3600409
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 108535718
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 67090706
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone (CID 108536440) is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is VVLBAJRHYITXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,3)17-7-5-16(6-8-17)19(24)22-11-9-21(10-12-22)18(23)15-26-14-13-25-4/h5-8H,9-15H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 362.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 108536440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).