1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C17H24N2O2 — CID 64872478

IUPAC1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-13-6-8-14(9-7-13)10-19-12(4)16(20)18-15(11(2)3)17(19)21/h6-9,11-12,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyRVCZUHPBHKAHNR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64872478) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64872478
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-13-6-8-14(9-7-13)10-19-12(4)16(20)18-15(11(2)3)17(19)21/h6-9,11-12,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyRVCZUHPBHKAHNR-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
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-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 64872478) is 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RVCZUHPBHKAHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-13-6-8-14(9-7-13)10-19-12(4)16(20)18-15(11(2)3)17(19)21/h6-9,11-12,15H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.12, 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-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64872478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).