4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one

C12H18F2N2O2 — CID 122151737

IUPAC4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)C1CC1(F)F
InChIInChI=1S/C12H18F2N2O2/c1-7(2)5-9-10(17)15-3-4-16(9)11(18)8-6-12(8,13)14/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyOCJLEKXAXZKCFR-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.01
Rot. Bonds3

About 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one

4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 122151737) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID122151737
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)C1CC1(F)F
InChIInChI=1S/C12H18F2N2O2/c1-7(2)5-9-10(17)15-3-4-16(9)11(18)8-6-12(8,13)14/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyOCJLEKXAXZKCFR-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
CID 114094362
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
CID 126816919
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
4-(4-hydroxyisoquinoline-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 167868714
4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398
(2S)-N-[3-(dimethylamino)-2-methylphenyl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826136

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one (CID 122151737) is 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1C(=O)C1CC1(F)F.
What is the InChIKey of 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is OCJLEKXAXZKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-7(2)5-9-10(17)15-3-4-16(9)11(18)8-6-12(8,13)14/h7-9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one?
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 260.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 122151737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).