1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one

C15H20N2O2 — CID 43119536

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C15H20N2O2/c18-15(17-11-9-14(16-19)10-12-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,19H,4,7-12H2
InChIKeyYRUNVASXLBEEPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one

1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one (PubChem CID 43119536) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
PubChem CID43119536
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C15H20N2O2/c18-15(17-11-9-14(16-19)10-12-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,19H,4,7-12H2
InChIKeyYRUNVASXLBEEPR-UHFFFAOYSA-N
XLogP2.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-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

1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
CID 24700835
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201364
1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenylbutan-1-one
CID 7348933

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one (CID 43119536) is 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is YRUNVASXLBEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-11-9-14(16-19)10-12-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,19H,4,7-12H2.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one?
1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 260.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 43119536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).