3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

C14H22N2O2 — CID 113223074

IUPAC3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-12(13-6-5-11-18-13)15-8-7-14(17)16-9-3-2-4-10-16/h5-6,11-12,15H,2-4,7-10H2,1H3
InChIKeySLTNCECCNCEKQZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.33
Rot. Bonds5

About 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113223074) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID113223074
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-12(13-6-5-11-18-13)15-8-7-14(17)16-9-3-2-4-10-16/h5-6,11-12,15H,2-4,7-10H2,1H3
InChIKeySLTNCECCNCEKQZ-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

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 113223074) is 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is CC(NCCC(=O)N1CCCCC1)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SLTNCECCNCEKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(13-6-5-11-18-13)15-8-7-14(17)16-9-3-2-4-10-16/h5-6,11-12,15H,2-4,7-10H2,1H3.
What are the key properties of 3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(furan-2-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-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113223074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).