1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione

C15H20N2O3 — CID 64878854

IUPAC1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccccc2OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-12-15(19)17(10-14(18)16-12)9-11-7-4-5-8-13(11)20-2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyIIRNOPAHEZBLGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione

1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64878854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64878854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccccc2OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-12-15(19)17(10-14(18)16-12)9-11-7-4-5-8-13(11)20-2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyIIRNOPAHEZBLGQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione (CID 64878854) is 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccccc2OC)C1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is IIRNOPAHEZBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-12-15(19)17(10-14(18)16-12)9-11-7-4-5-8-13(11)20-2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64878854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).