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

C21H23N3O3 — CID 139460087

IUPACN-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
SMILESCN1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3/c1-23-12-10-21(11-13-23)18-5-3-2-4-17(18)20(26)24(21)14-15-6-8-16(9-7-15)19(25)22-27/h2-9,27H,10-14H2,1H3,(H,22,25)
InChIKeyTVUKBGSULYGHSK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds3

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

N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide (PubChem CID 139460087) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
PubChem CID139460087
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide
SMILESCN1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3/c1-23-12-10-21(11-13-23)18-5-3-2-4-17(18)20(26)24(21)14-15-6-8-16(9-7-15)19(25)22-27/h2-9,27H,10-14H2,1H3,(H,22,25)
InChIKeyTVUKBGSULYGHSK-UHFFFAOYSA-N
XLogP2.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide (CID 139460087) is N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide is CN1CCC2(CC1)c1ccccc1C(=O)N2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
The InChIKey is TVUKBGSULYGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23-12-10-21(11-13-23)18-5-3-2-4-17(18)20(26)24(21)14-15-6-8-16(9-7-15)19(25)22-27/h2-9,27H,10-14H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide?
N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1'-methyl-3-oxospiro[isoindole-1,4'-piperidine]-2-yl)methyl]benzamide is sourced from PubChem (CID 139460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).