N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide

C21H25N3O2 — CID 155804506

IUPACN-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
SMILESCN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
InChIKeyKRAFQDJIYXJLQM-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.79
Rot. Bonds3

About N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide

N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide (PubChem CID 155804506) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
PubChem CID155804506
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide
SMILESCN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
InChIKeyKRAFQDJIYXJLQM-UHFFFAOYSA-N
XLogP2.79
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.79
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-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide (CID 155804506) is N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide is CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
The InChIKey is KRAFQDJIYXJLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide?
N-hydroxy-4-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.79, 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-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]benzamide is sourced from PubChem (CID 155804506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).