3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

C15H17FN2O2 — CID 64880374

IUPAC3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H17FN2O2/c1-15(11-6-7-11)14(20)18(9-13(19)17-15)8-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,19)
InChIKeyAXVPSVZHZZYMML-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.45
Rot. Bonds3

About 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64880374) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64880374
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H17FN2O2/c1-15(11-6-7-11)14(20)18(9-13(19)17-15)8-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,19)
InChIKeyAXVPSVZHZZYMML-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64880374) is 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(Cc2ccccc2F)C1=O.
What is the InChIKey of 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is AXVPSVZHZZYMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-15(11-6-7-11)14(20)18(9-13(19)17-15)8-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 276.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).