(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide

C16H22N2O2 — CID 163183792

IUPAC(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/C1CCN(CCc2ccccc2)CC1)NO
InChIInChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)/b7-6+
InChIKeyLPMFCCCECUVGJJ-VOTSOKGWSA-N
MW274.36 g/mol
LogP2.00
Rot. Bonds5

About (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide (PubChem CID 163183792) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
PubChem CID163183792
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/C1CCN(CCc2ccccc2)CC1)NO
InChIInChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)/b7-6+
InChIKeyLPMFCCCECUVGJJ-VOTSOKGWSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 2381783
(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
CID 9879458
N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11162880
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
CID 11277337
N-hydroxy-3-[6-oxo-1-(2-phenylethyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11403497
N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
CID 11460011
N-Hydroxy-3-[2-oxo-1-(3-phenylpropyl)-1,2,5,6-tetrahydropyridin-3-yl]propionamide
CID 16720331
(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25269098
(E)-3-[1-[2-(4-ethylphenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846349
(E)-N-hydroxy-3-[2-oxo-1-(3-phenylpropyl)-3-pyridinyl]prop-2-enamide
CID 49846761

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide (CID 163183792) is (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide is O=C(/C=C/C1CCN(CCc2ccccc2)CC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is LPMFCCCECUVGJJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 163183792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).