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

C22H30N2O3 — CID 11632103

IUPACN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyODRJZKUJAYVKSJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.19
Rot. Bonds4

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

N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11632103) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11632103
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyODRJZKUJAYVKSJ-UHFFFAOYSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.19
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'-cyclohexane]-1'-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11632103) is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1ccccc12.
What is the InChIKey of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is ODRJZKUJAYVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,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'-cyclohexane]-1'-carboxamide?
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.19, 4 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'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11632103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).