N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide

C17H22N2O3 — CID 90618714

IUPACN-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C17H22N2O3/c1-16(2,3)18-15(21)19-10-6-9-17(11-19)13-8-5-4-7-12(13)14(20)22-17/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,21)
InChIKeyGZVOVQKBPAHXQE-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.66
Rot. Bonds

About N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide

N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide (PubChem CID 90618714) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
PubChem CID90618714
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C17H22N2O3/c1-16(2,3)18-15(21)19-10-6-9-17(11-19)13-8-5-4-7-12(13)14(20)22-17/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,21)
InChIKeyGZVOVQKBPAHXQE-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide?
The IUPAC name of N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide (CID 90618714) is N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide is CC(C)(C)NC(=O)N1CCCC2(C1)OC(=O)c1ccccc12.
What is the InChIKey of N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide?
The InChIKey is GZVOVQKBPAHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-16(2,3)18-15(21)19-10-6-9-17(11-19)13-8-5-4-7-12(13)14(20)22-17/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide?
N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 90618714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).