1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C16H22N2O2 — CID 64880063

IUPAC1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)CNC(=O)C2C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-7-13(8-6-12)10-18-14(19)9-17-16(20)15(18)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyMMNQJVKDBBZZPW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64880063) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64880063
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)CNC(=O)C2C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-7-13(8-6-12)10-18-14(19)9-17-16(20)15(18)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyMMNQJVKDBBZZPW-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64880063) is 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CCc1ccc(CN2C(=O)CNC(=O)C2C(C)C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MMNQJVKDBBZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12-5-7-13(8-6-12)10-18-14(19)9-17-16(20)15(18)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64880063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).