(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

C23H23FN2O4 — CID 87258262

IUPAC(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(F)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2)NO
InChIInChI=1S/C23H23FN2O4/c24-19-13-17(6-7-21(28)25-29)12-18-20(27)14-23(30-22(18)19)8-10-26(11-9-23)15-16-4-2-1-3-5-16/h1-7,12-13,29H,8-11,14-15H2,(H,25,28)/b7-6+
InChIKeyMBVOHDIFDAGAGD-VOTSOKGWSA-N
MW410.45 g/mol
LogP3.34
Rot. Bonds4

About (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 87258262) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID87258262
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(F)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2)NO
InChIInChI=1S/C23H23FN2O4/c24-19-13-17(6-7-21(28)25-29)12-18-20(27)14-23(30-22(18)19)8-10-26(11-9-23)15-16-4-2-1-3-5-16/h1-7,12-13,29H,8-11,14-15H2,(H,25,28)/b7-6+
InChIKeyMBVOHDIFDAGAGD-VOTSOKGWSA-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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Related Compounds

N-hydroxy-3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108
3-[1'-[(2-chlorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123419493
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enamide
CID 51357275
(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-[1'-[(2-methoxyphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208840
3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932571
methyl 3-(1'-benzyl-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl)prop-2-enoate
CID 77221223
(E)-3-(1'-benzyl-4-oxo-2'-phenylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 87209031
(E)-3-[1'-(benzenesulfonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208878

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (CID 87258262) is (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1cc(F)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2)NO.
What is the InChIKey of (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is MBVOHDIFDAGAGD-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H23FN2O4/c24-19-13-17(6-7-21(28)25-29)12-18-20(27)14-23(30-22(18)19)8-10-26(11-9-23)15-16-4-2-1-3-5-16/h1-7,12-13,29H,8-11,14-15H2,(H,25,28)/b7-6+.
What are the key properties of (E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-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'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87258262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).