3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one

C12H16N2O3 — CID 28780592

IUPAC3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(=NO)CC1
InChIInChI=1S/C12H16N2O3/c15-12(4-3-11-2-1-9-17-11)14-7-5-10(13-16)6-8-14/h1-2,9,16H,3-8H2
InChIKeyUFIMENOSCWQUOC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.66
Rot. Bonds3

About 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one

3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one (PubChem CID 28780592) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
PubChem CID28780592
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(=NO)CC1
InChIInChI=1S/C12H16N2O3/c15-12(4-3-11-2-1-9-17-11)14-7-5-10(13-16)6-8-14/h1-2,9,16H,3-8H2
InChIKeyUFIMENOSCWQUOC-UHFFFAOYSA-N
XLogP1.66
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
CID 56819353
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
CID 43119536
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78788998
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
2-[3-(furan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110310919
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 63340908

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one (CID 28780592) is 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one is O=C(CCc1ccco1)N1CCC(=NO)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one?
The InChIKey is UFIMENOSCWQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(4-3-11-2-1-9-17-11)14-7-5-10(13-16)6-8-14/h1-2,9,16H,3-8H2.
What are the key properties of 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one?
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one has a molecular weight of 236.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one is sourced from PubChem (CID 28780592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).