1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone

C12H17NO3 — CID 102960760

IUPAC1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO3/c1-15-10-4-2-6-13(8-10)9-11(14)12-5-3-7-16-12/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyVOYQEZTZWKKNLR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.57
Rot. Bonds4

About 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone

1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 102960760) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
PubChem CID102960760
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO3/c1-15-10-4-2-6-13(8-10)9-11(14)12-5-3-7-16-12/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyVOYQEZTZWKKNLR-UHFFFAOYSA-N
XLogP1.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone (CID 102960760) is 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone is COC1CCCN(CC(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is VOYQEZTZWKKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-4-2-6-13(8-10)9-11(14)12-5-3-7-16-12/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.57, 4 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-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 102960760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).