(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide

C23H23FN2O4 — CID 51356993

IUPAC(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(Cc3ccc(F)cc3)C1)O2)NO
InChIInChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+
InChIKeyGGVRSIDKJZSFFG-WEVVVXLNSA-N
MW410.45 g/mol
LogP3.34
Rot. Bonds4

About (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide

(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide (PubChem CID 51356993) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
PubChem CID51356993
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(Cc3ccc(F)cc3)C1)O2)NO
InChIInChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+
InChIKeyGGVRSIDKJZSFFG-WEVVVXLNSA-N
XLogP3.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide (CID 51356993) is (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(Cc3ccc(F)cc3)C1)O2)NO.
What is the InChIKey of (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide?
The InChIKey is GGVRSIDKJZSFFG-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+.
What are the key properties of (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide has a molecular weight of 410.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 51356993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).