2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide

C13H18N2O3 — CID 54989522

IUPAC2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C13H18N2O3/c14-13(17)8-10-3-5-15(6-4-10)9-11(16)12-2-1-7-18-12/h1-2,7,10H,3-6,8-9H2,(H2,14,17)
InChIKeyJOAOGYDRKZOXDM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.05
Rot. Bonds5

About 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide

2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 54989522) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
PubChem CID54989522
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C13H18N2O3/c14-13(17)8-10-3-5-15(6-4-10)9-11(16)12-2-1-7-18-12/h1-2,7,10H,3-6,8-9H2,(H2,14,17)
InChIKeyJOAOGYDRKZOXDM-UHFFFAOYSA-N
XLogP1.05
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
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
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989569

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide (CID 54989522) is 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(=O)c2ccco2)CC1.
What is the InChIKey of 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The InChIKey is JOAOGYDRKZOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(17)8-10-3-5-15(6-4-10)9-11(16)12-2-1-7-18-12/h1-2,7,10H,3-6,8-9H2,(H2,14,17).
What are the key properties of 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54989522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).