1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione

C14H18N2O3 — CID 117026343

IUPAC1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
SMILESCC(C)Oc1ccccc1N1CC(=O)N(C)CC1=O
InChIInChI=1S/C14H18N2O3/c1-10(2)19-12-7-5-4-6-11(12)16-9-13(17)15(3)8-14(16)18/h4-7,10H,8-9H2,1-3H3
InChIKeyPDFGQENRKMKKIH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione

1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione (PubChem CID 117026343) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
PubChem CID117026343
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
SMILESCC(C)Oc1ccccc1N1CC(=O)N(C)CC1=O
InChIInChI=1S/C14H18N2O3/c1-10(2)19-12-7-5-4-6-11(12)16-9-13(17)15(3)8-14(16)18/h4-7,10H,8-9H2,1-3H3
InChIKeyPDFGQENRKMKKIH-UHFFFAOYSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione?
The IUPAC name of 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione (CID 117026343) is 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione is CC(C)Oc1ccccc1N1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione?
The InChIKey is PDFGQENRKMKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)19-12-7-5-4-6-11(12)16-9-13(17)15(3)8-14(16)18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione?
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 117026343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).