3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione

C14H14F2N2O2 — CID 64957821

IUPAC3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C14H14F2N2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,7H2,1H3,(H,17,19)
InChIKeyPDANNNUVTTVLJB-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.60
Rot. Bonds2

About 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64957821) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
PubChem CID64957821
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C14H14F2N2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,7H2,1H3,(H,17,19)
InChIKeyPDANNNUVTTVLJB-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione (CID 64957821) is 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(c2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is PDANNNUVTTVLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,7H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 280.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).