1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone

C14H21NO2 — CID 55050319

IUPAC1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C14H21NO2/c1-2-4-12-6-8-15(9-7-12)11-13(16)14-5-3-10-17-14/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyRPCNZLOFWJYWBN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.97
Rot. Bonds5

About 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone

1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone (PubChem CID 55050319) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
PubChem CID55050319
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C14H21NO2/c1-2-4-12-6-8-15(9-7-12)11-13(16)14-5-3-10-17-14/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyRPCNZLOFWJYWBN-UHFFFAOYSA-N
XLogP2.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
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
2-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078000
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone (CID 55050319) is 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone is CCCC1CCN(CC(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is RPCNZLOFWJYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-4-12-6-8-15(9-7-12)11-13(16)14-5-3-10-17-14/h3,5,10,12H,2,4,6-9,11H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55050319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).