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

C22H32N4O2 — CID 11531102

IUPACN,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)c1ccccc1C(=O)N2C
InChIInChI=1S/C22H32N4O2/c1-23(16-17-25-12-6-3-7-13-25)21(28)26-14-10-22(11-15-26)19-9-5-4-8-18(19)20(27)24(22)2/h4-5,8-9H,3,6-7,10-17H2,1-2H3
InChIKeyRMEZYLOXHPBCFH-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.60
Rot. Bonds3

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

N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide (PubChem CID 11531102) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide
PubChem CID11531102
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)c1ccccc1C(=O)N2C
InChIInChI=1S/C22H32N4O2/c1-23(16-17-25-12-6-3-7-13-25)21(28)26-14-10-22(11-15-26)19-9-5-4-8-18(19)20(27)24(22)2/h4-5,8-9H,3,6-7,10-17H2,1-2H3
InChIKeyRMEZYLOXHPBCFH-UHFFFAOYSA-N
XLogP2.60
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide (CID 11531102) is N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)c1ccccc1C(=O)N2C.
What is the InChIKey of N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide?
The InChIKey is RMEZYLOXHPBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-23(16-17-25-12-6-3-7-13-25)21(28)26-14-10-22(11-15-26)19-9-5-4-8-18(19)20(27)24(22)2/h4-5,8-9H,3,6-7,10-17H2,1-2H3.
What are the key properties of N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide?
N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[isoindole-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 11531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).