3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione

C15H16F2N2O2 — CID 82802004

IUPAC3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1ccc(F)c(N2C(=O)C(C3CC3)NC(=O)C2C)c1F
InChIInChI=1S/C15H16F2N2O2/c1-7-3-6-10(16)13(11(7)17)19-8(2)14(20)18-12(15(19)21)9-4-5-9/h3,6,8-9,12H,4-5H2,1-2H3,(H,18,20)
InChIKeyUMYDTOJTWFULMH-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.90
Rot. Bonds2

About 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 82802004) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione
PubChem CID82802004
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1ccc(F)c(N2C(=O)C(C3CC3)NC(=O)C2C)c1F
InChIInChI=1S/C15H16F2N2O2/c1-7-3-6-10(16)13(11(7)17)19-8(2)14(20)18-12(15(19)21)9-4-5-9/h3,6,8-9,12H,4-5H2,1-2H3,(H,18,20)
InChIKeyUMYDTOJTWFULMH-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione (CID 82802004) is 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione is Cc1ccc(F)c(N2C(=O)C(C3CC3)NC(=O)C2C)c1F.
What is the InChIKey of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is UMYDTOJTWFULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-7-3-6-10(16)13(11(7)17)19-8(2)14(20)18-12(15(19)21)9-4-5-9/h3,6,8-9,12H,4-5H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 294.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 82802004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).