N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide

C21H30N4O2 — CID 11595838

IUPACN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12
InChIInChI=1S/C21H30N4O2/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)18-8-4-3-7-17(18)19(26)22-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
InChIKeyRCMWUIMATFNCDT-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide

N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide (PubChem CID 11595838) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
PubChem CID11595838
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12
InChIInChI=1S/C21H30N4O2/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)18-8-4-3-7-17(18)19(26)22-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
InChIKeyRCMWUIMATFNCDT-UHFFFAOYSA-N
XLogP2.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide (CID 11595838) is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12.
What is the InChIKey of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
The InChIKey is RCMWUIMATFNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)18-8-4-3-7-17(18)19(26)22-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26).
What are the key properties of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide?
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 11595838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).