1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione

C13H21NO3 — CID 122544657

IUPAC1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESCC1CCCOC1C(=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO3/c1-10-6-5-9-17-12(10)11(15)13(16)14-7-3-2-4-8-14/h10,12H,2-9H2,1H3
InChIKeyJQXYYHCFTVYUSZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds2

About 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione

1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 122544657) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID122544657
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESCC1CCCOC1C(=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO3/c1-10-6-5-9-17-12(10)11(15)13(16)14-7-3-2-4-8-14/h10,12H,2-9H2,1H3
InChIKeyJQXYYHCFTVYUSZ-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
CID 134964643
Ethane;propane;propyl 1-[2-(3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 141810418
propane;propyl 1-[2-[(2R)-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
CID 141818270
Butane;1-(3-methyloxan-2-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione;propyl formate
CID 141818272
1-[2-(Oxan-2-yl)acetyl]piperidin-3-one
CID 81722708
1-(4-Methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
CID 110407351
1-(3-Methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
CID 110416331
1-[3-(Ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610387
1-(3-Ethyl-4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)ethanone
CID 113594092
3-Methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one
CID 114499951
1-(4-Hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
CID 114501566
3-Ethyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one
CID 114508400

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione (CID 122544657) is 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione is CC1CCCOC1C(=O)C(=O)N1CCCCC1.
What is the InChIKey of 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is JQXYYHCFTVYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-6-5-9-17-12(10)11(15)13(16)14-7-3-2-4-8-14/h10,12H,2-9H2,1H3.
What are the key properties of 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 239.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 122544657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).