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

C11H16F2N2O2 — CID 114094357

IUPAC4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H16F2N2O2/c1-7-9(16)14-4-5-15(7)10(17)8-2-3-11(12,13)6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyQIMCLYNSJOVZNO-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.77
Rot. Bonds1

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

4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 114094357) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
PubChem CID114094357
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H16F2N2O2/c1-7-9(16)14-4-5-15(7)10(17)8-2-3-11(12,13)6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyQIMCLYNSJOVZNO-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
CID 114094362
N,N-dimethyl-4-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 63373671
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
CID 63374451
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one (CID 114094357) is 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is QIMCLYNSJOVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-7-9(16)14-4-5-15(7)10(17)8-2-3-11(12,13)6-8/h7-8H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one?
4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one has a molecular weight of 246.26 g/mol, XLogP of 0.77, 1 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-methylpiperazin-2-one is sourced from PubChem (CID 114094357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).