1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone

C13H19NO3 — CID 63971558

IUPAC1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO3/c1-16-10-11-4-6-14(7-5-11)9-12(15)13-3-2-8-17-13/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyIUNRVANCVFYZTK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds5

About 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone

1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 63971558) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID63971558
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO3/c1-16-10-11-4-6-14(7-5-11)9-12(15)13-3-2-8-17-13/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyIUNRVANCVFYZTK-UHFFFAOYSA-N
XLogP1.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
2-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078000
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone (CID 63971558) is 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCN(CC(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is IUNRVANCVFYZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-11-4-6-14(7-5-11)9-12(15)13-3-2-8-17-13/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone?
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63971558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).