2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

C26H32N4O2 — CID 108763859

IUPAC2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C26H32N4O2/c1-18-10-11-23(20(16-18)26(3,4)5)32-17-24(31)29-12-14-30(15-13-29)25-19(2)27-21-8-6-7-9-22(21)28-25/h6-11,16H,12-15,17H2,1-5H3
InChIKeyZVTKTXTYQRAWMM-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (PubChem CID 108763859) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
PubChem CID108763859
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C26H32N4O2/c1-18-10-11-23(20(16-18)26(3,4)5)32-17-24(31)29-12-14-30(15-13-29)25-19(2)27-21-8-6-7-9-22(21)28-25/h6-11,16H,12-15,17H2,1-5H3
InChIKeyZVTKTXTYQRAWMM-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546462
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108535649
(E)-1-[4-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 108568664
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108546454
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 108568669
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545179
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
2-(2-tert-butyl-4-methylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3285362
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (CID 108763859) is 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ZVTKTXTYQRAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-10-11-23(20(16-18)26(3,4)5)32-17-24(31)29-12-14-30(15-13-29)25-19(2)27-21-8-6-7-9-22(21)28-25/h6-11,16H,12-15,17H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 432.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108763859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).