3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

C14H22N2O2 — CID 112700173

IUPAC3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1ccoc1
InChIInChI=1S/C14H22N2O2/c1-12(13-6-10-18-11-13)15-7-5-14(17)16-8-3-2-4-9-16/h6,10-12,15H,2-5,7-9H2,1H3
InChIKeyGOQJJEFMHONDCD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.33
Rot. Bonds5

About 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 112700173) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID112700173
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1ccoc1
InChIInChI=1S/C14H22N2O2/c1-12(13-6-10-18-11-13)15-7-5-14(17)16-8-3-2-4-9-16/h6,10-12,15H,2-5,7-9H2,1H3
InChIKeyGOQJJEFMHONDCD-UHFFFAOYSA-N
XLogP2.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 112700173) is 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is CC(NCCC(=O)N1CCCCC1)c1ccoc1.
What is the InChIKey of 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is GOQJJEFMHONDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(13-6-10-18-11-13)15-7-5-14(17)16-8-3-2-4-9-16/h6,10-12,15H,2-5,7-9H2,1H3.
What are the key properties of 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112700173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).