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

C15H19FN2O2 — CID 64874080

IUPAC1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)13-14(19)17-10(3)15(20)18(13)8-11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)
InChIKeyBHTUOHXAGONBJJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.70
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874080) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64874080
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)13-14(19)17-10(3)15(20)18(13)8-11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)
InChIKeyBHTUOHXAGONBJJ-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958037
1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 82748766
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64875269
1-[(2-bromophenyl)methyl]-6-butan-2-yl-3-methylpiperazine-2,5-dione
CID 64872913
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
1-[(2-chlorophenyl)methyl]-3-methyl-6-(1-phenylethyl)piperazine-2,5-dione
CID 10089674
1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967227
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970066
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104812683

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64874080) is 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BHTUOHXAGONBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)13-14(19)17-10(3)15(20)18(13)8-11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).