(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide

C21H22N2O4 — CID 71620748

IUPAC(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1O[C@H]1CCCN(C(=O)c2ccccc2)C1)NO
InChIInChI=1S/C21H22N2O4/c24-20(22-26)13-12-16-7-4-5-11-19(16)27-18-10-6-14-23(15-18)21(25)17-8-2-1-3-9-17/h1-5,7-9,11-13,18,26H,6,10,14-15H2,(H,22,24)/b13-12+/t18-/m0/s1
InChIKeyGXTQRHMYGMZKBA-HHNLSAEISA-N
MW366.42 g/mol
LogP2.89
Rot. Bonds5

About (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide (PubChem CID 71620748) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide
PubChem CID71620748
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1O[C@H]1CCCN(C(=O)c2ccccc2)C1)NO
InChIInChI=1S/C21H22N2O4/c24-20(22-26)13-12-16-7-4-5-11-19(16)27-18-10-6-14-23(15-18)21(25)17-8-2-1-3-9-17/h1-5,7-9,11-13,18,26H,6,10,14-15H2,(H,22,24)/b13-12+/t18-/m0/s1
InChIKeyGXTQRHMYGMZKBA-HHNLSAEISA-N
XLogP2.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide
CID 71620751
phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 29017962
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 102964360
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
3-[6-[[(3R)-1-benzoylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173125304
4-amino-1-benzoylazepane-3-carbaldehyde
CID 174444263

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide (CID 71620748) is (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccccc1O[C@H]1CCCN(C(=O)c2ccccc2)C1)NO.
What is the InChIKey of (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GXTQRHMYGMZKBA-HHNLSAEISA-N. The full InChI is InChI=1S/C21H22N2O4/c24-20(22-26)13-12-16-7-4-5-11-19(16)27-18-10-6-14-23(15-18)21(25)17-8-2-1-3-9-17/h1-5,7-9,11-13,18,26H,6,10,14-15H2,(H,22,24)/b13-12+/t18-/m0/s1.
What are the key properties of (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71620748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).