1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione

C14H22FNO4 — CID 155441951

IUPAC1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)C1(O)OC(F)CCC1C
InChIInChI=1S/C14H22FNO4/c1-9-6-7-11(15)20-14(9,19)12(17)13(18)16-8-4-3-5-10(16)2/h9-11,19H,3-8H2,1-2H3
InChIKeyCAIVYYVESUIAIO-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.39
Rot. Bonds2

About 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione

1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 155441951) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID155441951
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)C1(O)OC(F)CCC1C
InChIInChI=1S/C14H22FNO4/c1-9-6-7-11(15)20-14(9,19)12(17)13(18)16-8-4-3-5-10(16)2/h9-11,19H,3-8H2,1-2H3
InChIKeyCAIVYYVESUIAIO-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-hydroxy-3,6-dimethyloxan-2-yl)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 121479909
1-[2-(2-hydroxy-5-methoxy-3,6-dimethyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 121475544
[(E)-6-hydroxy-3,5-dimethylhept-3-en-2-yl] 1-[2-(2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 145119133
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
2-methylpropyl 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 143457765
3-benzylpentan-2-yl 1-[2-(2-hydroxy-3-methyl-6-sulfanyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 145118419
[4-(3,4-dihydroxycyclohexyl)-3-methylbutan-2-yl] 1-[2-(2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 163880072
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
[(E)-4-(4-hydroxy-3-methoxycyclohexen-1-yl)but-3-en-2-yl] 1-[2-(6-amino-2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 145118443
[(2R,3S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylpentan-3-yl] (2S)-1-[2-[(2R,3R)-2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
CID 155264336
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione (CID 155441951) is 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCCCN1C(=O)C(=O)C1(O)OC(F)CCC1C.
What is the InChIKey of 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is CAIVYYVESUIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4/c1-9-6-7-11(15)20-14(9,19)12(17)13(18)16-8-4-3-5-10(16)2/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione?
1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 287.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-hydroxy-3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 155441951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).