2-(furan-3-yl)piperidin-4-one

C9H11NO2 — CID 75132316

IUPAC2-(furan-3-yl)piperidin-4-one
SMILESO=C1CCNC(c2ccoc2)C1
InChIInChI=1S/C9H11NO2/c11-8-1-3-10-9(5-8)7-2-4-12-6-7/h2,4,6,9-10H,1,3,5H2
InChIKeyNTCKMMDMZFPSKK-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.27
Rot. Bonds1

About 2-(furan-3-yl)piperidin-4-one

2-(furan-3-yl)piperidin-4-one (PubChem CID 75132316) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(furan-3-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(furan-3-yl)piperidin-4-one
PubChem CID75132316
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(furan-3-yl)piperidin-4-one
SMILESO=C1CCNC(c2ccoc2)C1
InChIInChI=1S/C9H11NO2/c11-8-1-3-10-9(5-8)7-2-4-12-6-7/h2,4,6,9-10H,1,3,5H2
InChIKeyNTCKMMDMZFPSKK-UHFFFAOYSA-N
XLogP1.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Furan-3-yl)-1,7-dimethyloctahydro-2h-quinolizine
CID 442525
7-epi-Deoxynupharidine
CID 10537609
4-(furan-3-yl)-6-methyl-5-(3-methylbutanoyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 162643106
4-Phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 70431629
Nupharamine
CID 10911986
4,5,6,7-Tetrahydrofuro[3,2-c]pyridine hydrochloride
CID 19599941
N-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]acetamide
CID 56658240
5-(cyclopropanecarbonyl)-4-(furan-3-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 162663497
5-acetyl-4-(furan-3-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 162669544
5-butanoyl-4-(furan-3-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 162677076
(E)-4-[(2S)-6beta-(3-Furyl)-3alpha-methylpiperidin-2-yl]-2-methyl-2-buten-1-ol
CID 10610640
(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine
CID 10944360

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)piperidin-4-one?
The IUPAC name of 2-(furan-3-yl)piperidin-4-one (CID 75132316) is 2-(furan-3-yl)piperidin-4-one.
What is the SMILES notation for 2-(furan-3-yl)piperidin-4-one?
The canonical SMILES for 2-(furan-3-yl)piperidin-4-one is O=C1CCNC(c2ccoc2)C1.
What is the InChIKey of 2-(furan-3-yl)piperidin-4-one?
The InChIKey is NTCKMMDMZFPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-1-3-10-9(5-8)7-2-4-12-6-7/h2,4,6,9-10H,1,3,5H2.
What are the key properties of 2-(furan-3-yl)piperidin-4-one?
2-(furan-3-yl)piperidin-4-one has a molecular weight of 165.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)piperidin-4-one is sourced from PubChem (CID 75132316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).