N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide

C15H19N3O2 — CID 97449355

IUPACN,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12
InChIInChI=1S/C15H19N3O2/c1-17(2)14(20)18-9-7-15(8-10-18)12-6-4-3-5-11(12)13(19)16-15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyMIUIERVBVIMDJP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds

About N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide

N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide (PubChem CID 97449355) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
PubChem CID97449355
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12
InChIInChI=1S/C15H19N3O2/c1-17(2)14(20)18-9-7-15(8-10-18)12-6-4-3-5-11(12)13(19)16-15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyMIUIERVBVIMDJP-UHFFFAOYSA-N
XLogP1.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide (CID 97449355) is N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide is CN(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12.
What is the InChIKey of N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The InChIKey is MIUIERVBVIMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(2)14(20)18-9-7-15(8-10-18)12-6-4-3-5-11(12)13(19)16-15/h3-6H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 97449355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).