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

C21H29N3O3 — CID 11538747

IUPACN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C21H29N3O3/c1-22(15-16-23-11-5-2-6-12-23)20(26)24-13-9-21(10-14-24)18-8-4-3-7-17(18)19(25)27-21/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyOPICQGZFKRRTAK-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.69
Rot. Bonds3

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

N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 11538747) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID11538747
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C21H29N3O3/c1-22(15-16-23-11-5-2-6-12-23)20(26)24-13-9-21(10-14-24)18-8-4-3-7-17(18)19(25)27-21/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyOPICQGZFKRRTAK-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 11538747) is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc12.
What is the InChIKey of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is OPICQGZFKRRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22(15-16-23-11-5-2-6-12-23)20(26)24-13-9-21(10-14-24)18-8-4-3-7-17(18)19(25)27-21/h3-4,7-8H,2,5-6,9-16H2,1H3.
What are the key properties of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 11538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).