1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one

C12H17NO2 — CID 116563516

IUPAC1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1ccoc1
InChIInChI=1S/C12H17NO2/c14-12(11-5-8-15-9-11)2-1-10-3-6-13-7-4-10/h5,8-10,13H,1-4,6-7H2
InChIKeyCCMHFFPTTGYDGJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.24
Rot. Bonds4

About 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one

1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 116563516) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID116563516
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1ccoc1
InChIInChI=1S/C12H17NO2/c14-12(11-5-8-15-9-11)2-1-10-3-6-13-7-4-10/h5,8-10,13H,1-4,6-7H2
InChIKeyCCMHFFPTTGYDGJ-UHFFFAOYSA-N
XLogP2.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
CID 116563485
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
1-(5-fluoro-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 116563479
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
N-(2-piperidin-4-yloxyethyl)furan-3-carboxamide
CID 63870938
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one (CID 116563516) is 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is CCMHFFPTTGYDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(11-5-8-15-9-11)2-1-10-3-6-13-7-4-10/h5,8-10,13H,1-4,6-7H2.
What are the key properties of 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one?
1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 116563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).