N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide

C22H25N3O4 — CID 139460088

IUPACN-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide
SMILESCC(O)N1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C22H25N3O4/c1-15(26)24-12-10-22(11-13-24)19-5-3-2-4-18(19)21(28)25(22)14-16-6-8-17(9-7-16)20(27)23-29/h2-9,15,26,29H,10-14H2,1H3,(H,23,27)
InChIKeyKXWBZFFJLCVTOP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.09
Rot. Bonds4

About N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide

N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide (PubChem CID 139460088) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide
PubChem CID139460088
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide
SMILESCC(O)N1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C22H25N3O4/c1-15(26)24-12-10-22(11-13-24)19-5-3-2-4-18(19)21(28)25(22)14-16-6-8-17(9-7-16)20(27)23-29/h2-9,15,26,29H,10-14H2,1H3,(H,23,27)
InChIKeyKXWBZFFJLCVTOP-UHFFFAOYSA-N
XLogP2.09
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
CID 139460087
N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
CID 139451627
2-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-[2-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-oxospiro[isoindole-1,4'-piperidine]-1'-yl]-N,N-dimethyl-3-oxospiro[isoindole-1,4'-piperidine]-1'-carboxamide
CID 139460050
methyl 4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzoate
CID 139460074
N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
CID 162647611
3-[(3-oxospiro[isoindole-1,3'-oxetane]-2-yl)methyl]benzoic acid
CID 178053184
4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269536
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
tert-butyl 5-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxospiro[isoindole-1,4'-piperidine]-1'-carboxylate
CID 21054708
N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide
CID 150096934
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide (CID 139460088) is N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide is CC(O)N1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide?
The InChIKey is KXWBZFFJLCVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(26)24-12-10-22(11-13-24)19-5-3-2-4-18(19)21(28)25(22)14-16-6-8-17(9-7-16)20(27)23-29/h2-9,15,26,29H,10-14H2,1H3,(H,23,27).
What are the key properties of N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide?
N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide is sourced from PubChem (CID 139460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).