6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64872498

IUPAC6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-13-14(18)16-10(2)15(19)17(13)9-11-5-7-12(20-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeyFIFRCKIWPJAMNS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds4

About 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64872498) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64872498
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-13-14(18)16-10(2)15(19)17(13)9-11-5-7-12(20-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeyFIFRCKIWPJAMNS-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64872498) is 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is FIFRCKIWPJAMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-13-14(18)16-10(2)15(19)17(13)9-11-5-7-12(20-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).