(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide

C19H20N2O5 — CID 71620751

IUPAC(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC1CCN(C(=O)c2ccco2)CC1)NO
InChIInChI=1S/C19H20N2O5/c22-18(20-24)8-7-14-4-1-2-5-16(14)26-15-9-11-21(12-10-15)19(23)17-6-3-13-25-17/h1-8,13,15,24H,9-12H2,(H,20,22)/b8-7+
InChIKeyBPZVIWRUUNHLDJ-BQYQJAHWSA-N
MW356.38 g/mol
LogP2.48
Rot. Bonds5

About (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide (PubChem CID 71620751) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide
PubChem CID71620751
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC1CCN(C(=O)c2ccco2)CC1)NO
InChIInChI=1S/C19H20N2O5/c22-18(20-24)8-7-14-4-1-2-5-16(14)26-15-9-11-21(12-10-15)19(23)17-6-3-13-25-17/h1-8,13,15,24H,9-12H2,(H,20,22)/b8-7+
InChIKeyBPZVIWRUUNHLDJ-BQYQJAHWSA-N
XLogP2.48
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 29017962
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110411430
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613223
3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110414474

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide (CID 71620751) is (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccccc1OC1CCN(C(=O)c2ccco2)CC1)NO.
What is the InChIKey of (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is BPZVIWRUUNHLDJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-18(20-24)8-7-14-4-1-2-5-16(14)26-15-9-11-21(12-10-15)19(23)17-6-3-13-25-17/h1-8,13,15,24H,9-12H2,(H,20,22)/b8-7+.
What are the key properties of (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71620751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).