2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

C15H22F2N4O3 — CID 128982403

IUPAC2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)C(F)(F)C3(O)CCCC3)CCN2C)n1
InChIInChI=1S/C15H22F2N4O3/c1-10-18-12(24-19-10)11-9-21(8-7-20(11)2)13(22)15(16,17)14(23)5-3-4-6-14/h11,23H,3-9H2,1-2H3
InChIKeyJYYCCKNFTGJDDO-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.13
Rot. Bonds3

About 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 128982403) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID128982403
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC Name2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)C(F)(F)C3(O)CCCC3)CCN2C)n1
InChIInChI=1S/C15H22F2N4O3/c1-10-18-12(24-19-10)11-9-21(8-7-20(11)2)13(22)15(16,17)14(23)5-3-4-6-14/h11,23H,3-9H2,1-2H3
InChIKeyJYYCCKNFTGJDDO-UHFFFAOYSA-N
XLogP1.13
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 129491565
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(4-chloro-2-fluorophenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484977
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
(3-chloro-2-fluorophenyl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981776
2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 128981752
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 129483592
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129483649
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (CID 128982403) is 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is Cc1noc(C2CN(C(=O)C(F)(F)C3(O)CCCC3)CCN2C)n1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is JYYCCKNFTGJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-10-18-12(24-19-10)11-9-21(8-7-20(11)2)13(22)15(16,17)14(23)5-3-4-6-14/h11,23H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 344.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 128982403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).