2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone

C26H34N2O4 — CID 1281511

IUPAC2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-17-11-19(3)25(20(4)12-17)31-15-23(29)27-7-9-28(10-8-27)24(30)16-32-26-21(5)13-18(2)14-22(26)6/h11-14H,7-10,15-16H2,1-6H3
InChIKeyOSUJGRCBOJDULN-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.67
Rot. Bonds6

About 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone

2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 1281511) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID1281511
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-17-11-19(3)25(20(4)12-17)31-15-23(29)27-7-9-28(10-8-27)24(30)16-32-26-21(5)13-18(2)14-22(26)6/h11-14H,7-10,15-16H2,1-6H3
InChIKeyOSUJGRCBOJDULN-UHFFFAOYSA-N
XLogP3.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844
2-(2,4-dimethylphenoxy)-1-[4-[2-(2,3,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108534589
2-(2,4-dimethyl-6-nitrophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 17413599
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
2-(4-azido-2,6-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
CID 169326260
2-(2-amino-4-bromo-6-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 79844920
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone (CID 1281511) is 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone is Cc1cc(C)c(OCC(=O)N2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is OSUJGRCBOJDULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-17-11-19(3)25(20(4)12-17)31-15-23(29)27-7-9-28(10-8-27)24(30)16-32-26-21(5)13-18(2)14-22(26)6/h11-14H,7-10,15-16H2,1-6H3.
What are the key properties of 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone?
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 438.57 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 1281511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).