4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one

C12H18F2N2O2 — CID 114094362

IUPAC4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O2/c1-2-9-10(17)15-5-6-16(9)11(18)8-3-4-12(13,14)7-8/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyFATLXKWBFYDHBL-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.16
Rot. Bonds2

About 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one

4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one (PubChem CID 114094362) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
PubChem CID114094362
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O2/c1-2-9-10(17)15-5-6-16(9)11(18)8-3-4-12(13,14)7-8/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyFATLXKWBFYDHBL-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one (CID 114094362) is 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one?
The InChIKey is FATLXKWBFYDHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-2-9-10(17)15-5-6-16(9)11(18)8-3-4-12(13,14)7-8/h8-9H,2-7H2,1H3,(H,15,17).
What are the key properties of 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one?
4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one has a molecular weight of 260.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 114094362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).