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

C21H31N3O2 — CID 11625356

IUPACN-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C21H31N3O2/c1-22(15-16-23-11-5-2-6-12-23)20(25)24-13-9-21(10-14-24)19-8-4-3-7-18(19)17-26-21/h3-4,7-8H,2,5-6,9-17H2,1H3
InChIKeyONGCGJBTVIZKLI-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.05
Rot. Bonds3

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

N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (PubChem CID 11625356) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
PubChem CID11625356
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C21H31N3O2/c1-22(15-16-23-11-5-2-6-12-23)20(25)24-13-9-21(10-14-24)19-8-4-3-7-18(19)17-26-21/h3-4,7-8H,2,5-6,9-17H2,1H3
InChIKeyONGCGJBTVIZKLI-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (CID 11625356) is N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The InChIKey is ONGCGJBTVIZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22(15-16-23-11-5-2-6-12-23)20(25)24-13-9-21(10-14-24)19-8-4-3-7-18(19)17-26-21/h3-4,7-8H,2,5-6,9-17H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 11625356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).