1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one

C14H18N2O3 — CID 24700835

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C14H18N2O3/c17-14(16-9-6-12(15-18)7-10-16)8-11-19-13-4-2-1-3-5-13/h1-5,18H,6-11H2
InChIKeyAVZDPHWCNHFXBV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.91
Rot. Bonds4

About 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one

1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one (PubChem CID 24700835) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
PubChem CID24700835
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C14H18N2O3/c17-14(16-9-6-12(15-18)7-10-16)8-11-19-13-4-2-1-3-5-13/h1-5,18H,6-11H2
InChIKeyAVZDPHWCNHFXBV-UHFFFAOYSA-N
XLogP1.91
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.91
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

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
CID 43119536
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108569437
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one (CID 24700835) is 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is AVZDPHWCNHFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(16-9-6-12(15-18)7-10-16)8-11-19-13-4-2-1-3-5-13/h1-5,18H,6-11H2.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one?
1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 262.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 24700835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).