3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride

C25H25ClFN3O4 — CID 173032830

IUPAC3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3c[nH]c4ccc(F)cc34)CC1)O2)NO
InChIInChI=1S/C25H24FN3O4.ClH/c26-18-3-4-21-19(12-18)17(14-27-21)15-29-9-7-25(8-10-29)13-22(30)20-11-16(1-5-23(20)33-25)2-6-24(31)28-32;/h1-6,11-12,14,27,32H,7-10,13,15H2,(H,28,31);1H
InChIKeyGJVKNZPCZVRDFU-UHFFFAOYSA-N
MW485.94 g/mol
LogP4.25
Rot. Bonds4

About 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride

3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride (PubChem CID 173032830) has the molecular formula C25H25ClFN3O4 and a molecular weight of 485.94 g/mol. Its IUPAC name is 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride
PubChem CID173032830
Molecular FormulaC25H25ClFN3O4
Molecular Weight485.94 g/mol
Exact Mass485.15
IUPAC Name3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3c[nH]c4ccc(F)cc34)CC1)O2)NO
InChIInChI=1S/C25H24FN3O4.ClH/c26-18-3-4-21-19(12-18)17(14-27-21)15-29-9-7-25(8-10-29)13-22(30)20-11-16(1-5-23(20)33-25)2-6-24(31)28-32;/h1-6,11-12,14,27,32H,7-10,13,15H2,(H,28,31);1H
InChIKeyGJVKNZPCZVRDFU-UHFFFAOYSA-N
XLogP4.25
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 54.25
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

N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 123922862
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817
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
(E)-N-hydroxy-3-[1'-[(2-methoxyphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208840
N-hydroxy-3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
N-ethyl-6-[3-(hydroxyamino)-3-oxoprop-1-enyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 91400596
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108
3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enoic acid
CID 77221171
3-[1'-[2-(4-aminophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123271954
(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 71698938
(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
CID 51356711

Frequently Asked Questions

What is the IUPAC name of 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride?
The IUPAC name of 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) is 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride.
What is the SMILES notation for 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride?
The canonical SMILES for 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride is Cl.O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3c[nH]c4ccc(F)cc34)CC1)O2)NO.
What is the InChIKey of 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride?
The InChIKey is GJVKNZPCZVRDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4.ClH/c26-18-3-4-21-19(12-18)17(14-27-21)15-29-9-7-25(8-10-29)13-22(30)20-11-16(1-5-23(20)33-25)2-6-24(31)28-32;/h1-6,11-12,14,27,32H,7-10,13,15H2,(H,28,31);1H.
What are the key properties of 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride?
3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride has a molecular weight of 485.94 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride is sourced from PubChem (CID 173032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).