1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide

C21H24N2O3 — CID 134459714

IUPAC1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3)CC1)C2O
InChIInChI=1S/C21H24N2O3/c24-19-16-7-4-8-17(20(25)22-26)18(16)13-21(19)9-11-23(12-10-21)14-15-5-2-1-3-6-15/h1-8,19,24,26H,9-14H2,(H,22,25)
InChIKeyWGEFIOVQVOBSAQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.68
Rot. Bonds3

About 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide

1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide (PubChem CID 134459714) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide.

Molecular Properties

Compound Name1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide
PubChem CID134459714
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3)CC1)C2O
InChIInChI=1S/C21H24N2O3/c24-19-16-7-4-8-17(20(25)22-26)18(16)13-21(19)9-11-23(12-10-21)14-15-5-2-1-3-6-15/h1-8,19,24,26H,9-14H2,(H,22,25)
InChIKeyWGEFIOVQVOBSAQ-UHFFFAOYSA-N
XLogP2.68
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide?
The IUPAC name of 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide (CID 134459714) is 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide.
What is the SMILES notation for 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide?
The canonical SMILES for 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide is O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3)CC1)C2O.
What is the InChIKey of 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide?
The InChIKey is WGEFIOVQVOBSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-19-16-7-4-8-17(20(25)22-26)18(16)13-21(19)9-11-23(12-10-21)14-15-5-2-1-3-6-15/h1-8,19,24,26H,9-14H2,(H,22,25).
What are the key properties of 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide?
1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-N,1-dihydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide is sourced from PubChem (CID 134459714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).