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

C16H21FN2O2 — CID 105375775

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-16(21)19(11(4)15(20)18-14)8-12-7-13(17)6-5-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,18,20)
InChIKeyUSQDEQHFZLQHDH-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.01
Rot. Bonds3

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

1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 105375775) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID105375775
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-16(21)19(11(4)15(20)18-14)8-12-7-13(17)6-5-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,18,20)
InChIKeyUSQDEQHFZLQHDH-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 105375775) is 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione is Cc1ccc(F)cc1CN1C(=O)C(C(C)C)NC(=O)C1C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is USQDEQHFZLQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)14-16(21)19(11(4)15(20)18-14)8-12-7-13(17)6-5-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,18,20).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 105375775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).