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

C23H22N2O5 — CID 51356995

IUPAC(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(C(=O)c3ccccc3)C1)O2)NO
InChIInChI=1S/C23H22N2O5/c26-19-14-23(11-4-12-25(15-23)22(28)17-5-2-1-3-6-17)30-20-9-7-16(13-18(19)20)8-10-21(27)24-29/h1-3,5-10,13,29H,4,11-12,14-15H2,(H,24,27)/b10-8+
InChIKeyVCYYDBQABSJZFI-CSKARUKUSA-N
MW406.44 g/mol
LogP2.85
Rot. Bonds3

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

(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 51356995) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID51356995
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(C(=O)c3ccccc3)C1)O2)NO
InChIInChI=1S/C23H22N2O5/c26-19-14-23(11-4-12-25(15-23)22(28)17-5-2-1-3-6-17)30-20-9-7-16(13-18(19)20)8-10-21(27)24-29/h1-3,5-10,13,29H,4,11-12,14-15H2,(H,24,27)/b10-8+
InChIKeyVCYYDBQABSJZFI-CSKARUKUSA-N
XLogP2.85
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.85
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'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (CID 51356995) is (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(C(=O)c3ccccc3)C1)O2)NO.
What is the InChIKey of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is VCYYDBQABSJZFI-CSKARUKUSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-19-14-23(11-4-12-25(15-23)22(28)17-5-2-1-3-6-17)30-20-9-7-16(13-18(19)20)8-10-21(27)24-29/h1-3,5-10,13,29H,4,11-12,14-15H2,(H,24,27)/b10-8+.
What are the key properties of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 406.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 51356995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).