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

C20H21N3O3 — CID 139451627

IUPACN-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C20H21N3O3/c24-18(22-26)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)20(23)9-11-21-12-10-20/h1-8,21,26H,9-13H2,(H,22,24)
InChIKeyTVNPEEYFQRWGNM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.04
Rot. Bonds3

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

N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide (PubChem CID 139451627) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
PubChem CID139451627
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C20H21N3O3/c24-18(22-26)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)20(23)9-11-21-12-10-20/h1-8,21,26H,9-13H2,(H,22,24)
InChIKeyTVNPEEYFQRWGNM-UHFFFAOYSA-N
XLogP2.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
methyl 4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzoate
CID 139460074
N-hydroxy-4-[[1'-(1-hydroxyethyl)-3-oxospiro[isoindole-1,4'-piperidine]-2-yl]methyl]benzamide
CID 139460088
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
ethane;2-[(2E,5Z)-2-methylhepta-2,5-dienyl]spiro[isoindole-3,4'-piperidine]-1-one
CID 143404370
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
3-[(3-oxospiro[isoindole-1,3'-oxetane]-2-yl)methyl]benzoic acid
CID 178053184
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 42805958
N-hydroxy-4-[(1-methyl-7-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
CID 162647611
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 781996

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide (CID 139451627) is N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide is O=C(NO)c1ccc(CN2C(=O)c3ccccc3C23CCNCC3)cc1.
What is the InChIKey of N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The InChIKey is TVNPEEYFQRWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18(22-26)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)20(23)9-11-21-12-10-20/h1-8,21,26H,9-13H2,(H,22,24).
What are the key properties of N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide is sourced from PubChem (CID 139451627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).