N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide

C26H27N3O4 — CID 123922862

IUPACN-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(CCc3c[nH]c4ccccc34)CC1)O2)NO
InChIInChI=1S/C26H27N3O4/c30-23-16-26(33-24-7-5-18(15-21(23)24)6-8-25(31)28-32)10-13-29(14-11-26)12-9-19-17-27-22-4-2-1-3-20(19)22/h1-8,15,17,27,32H,9-14,16H2,(H,28,31)
InChIKeyYOFZPSXWYNZBNR-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.73
Rot. Bonds5

About N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide

N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide (PubChem CID 123922862) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
PubChem CID123922862
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(CCc3c[nH]c4ccccc34)CC1)O2)NO
InChIInChI=1S/C26H27N3O4/c30-23-16-26(33-24-7-5-18(15-21(23)24)6-8-25(31)28-32)10-13-29(14-11-26)12-9-19-17-27-22-4-2-1-3-20(19)22/h1-8,15,17,27,32H,9-14,16H2,(H,28,31)
InChIKeyYOFZPSXWYNZBNR-UHFFFAOYSA-N
XLogP3.73
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
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

(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108
3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173032830
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enamide
CID 51357275
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
3-[1'-[2-(4-aminophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123271954
3-[1'-[(2-chlorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123419493
(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208855
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'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
(E)-N-hydroxy-3-[1'-[(2-methoxyphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208840
(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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide (CID 123922862) is N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide is O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(CCc3c[nH]c4ccccc34)CC1)O2)NO.
What is the InChIKey of N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The InChIKey is YOFZPSXWYNZBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-23-16-26(33-24-7-5-18(15-21(23)24)6-8-25(31)28-32)10-13-29(14-11-26)12-9-19-17-27-22-4-2-1-3-20(19)22/h1-8,15,17,27,32H,9-14,16H2,(H,28,31).
What are the key properties of N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide has a molecular weight of 445.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide is sourced from PubChem (CID 123922862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).