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

C15H20N2O2 — CID 64879368

IUPAC1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2CC(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)14-15(19)17(9-13(18)16-14)8-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyPRYAAMZLQXGWFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds3

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

1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64879368) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64879368
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2CC(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)14-15(19)17(9-13(18)16-14)8-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyPRYAAMZLQXGWFM-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
1-[(3-bromo-4-fluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879560
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64878994
1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883719
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114702104
6-methyl-1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64874446
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
CID 114112313
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879364

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64879368) is 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is Cc1ccc(CN2CC(=O)NC(C(C)C)C2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PRYAAMZLQXGWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)14-15(19)17(9-13(18)16-14)8-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64879368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).