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

C29H28N2O4 — CID 87209031

IUPAC(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)C(c3ccccc3)C1)O2)NO
InChIInChI=1S/C29H28N2O4/c32-26-19-29(35-27-13-11-21(17-24(26)27)12-14-28(33)30-34)15-16-31(20-22-7-3-1-4-8-22)25(18-29)23-9-5-2-6-10-23/h1-14,17,25,34H,15-16,18-20H2,(H,30,33)/b14-12+
InChIKeyDYYZIQAMBPQJBJ-WYMLVPIESA-N
MW468.55 g/mol
LogP4.95
Rot. Bonds5

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

(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 87209031) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID87209031
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)C(c3ccccc3)C1)O2)NO
InChIInChI=1S/C29H28N2O4/c32-26-19-29(35-27-13-11-21(17-24(26)27)12-14-28(33)30-34)15-16-31(20-22-7-3-1-4-8-22)25(18-29)23-9-5-2-6-10-23/h1-14,17,25,34H,15-16,18-20H2,(H,30,33)/b14-12+
InChIKeyDYYZIQAMBPQJBJ-WYMLVPIESA-N
XLogP4.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.95
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'}

Analyze (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-4-oxo-N-phenyl-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-2'-carboxamide
CID 87208959
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
N-hydroxy-3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enamide
CID 51357275
3-[1'-[(2-chlorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123419493
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817
(E)-3-[1'-(benzenesulfonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208878
(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208855
(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
CID 51356711
N-ethyl-6-[3-(hydroxyamino)-3-oxoprop-1-enyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 91400596
N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
CID 74975570

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (CID 87209031) is (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)C(c3ccccc3)C1)O2)NO.
What is the InChIKey of (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is DYYZIQAMBPQJBJ-WYMLVPIESA-N. The full InChI is InChI=1S/C29H28N2O4/c32-26-19-29(35-27-13-11-21(17-24(26)27)12-14-28(33)30-34)15-16-31(20-22-7-3-1-4-8-22)25(18-29)23-9-5-2-6-10-23/h1-14,17,25,34H,15-16,18-20H2,(H,30,33)/b14-12+.
What are the key properties of (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 468.55 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87209031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).