3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

C13H20N2O2 — CID 54923480

IUPAC3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-14-11-6-8-15(9-7-11)13(16)5-4-12-3-2-10-17-12/h2-3,10-11,14H,4-9H2,1H3
InChIKeyGFSVBAMWLUJLIW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds4

About 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 54923480) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID54923480
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-14-11-6-8-15(9-7-11)13(16)5-4-12-3-2-10-17-12/h2-3,10-11,14H,4-9H2,1H3
InChIKeyGFSVBAMWLUJLIW-UHFFFAOYSA-N
XLogP1.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 110308243
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
CID 95289565
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (CID 54923480) is 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCN(C(=O)CCc2ccco2)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is GFSVBAMWLUJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-11-6-8-15(9-7-11)13(16)5-4-12-3-2-10-17-12/h2-3,10-11,14H,4-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 54923480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).