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

C22H30N2O4 — CID 11646729

IUPAC5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(O)ccc12
InChIInChI=1S/C22H30N2O4/c1-23(13-14-24-11-3-2-4-12-24)20(26)16-7-9-22(10-8-16)19-6-5-17(25)15-18(19)21(27)28-22/h5-6,15-16,25H,2-4,7-14H2,1H3
InChIKeyGMKQJKCOVYCLKP-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.89
Rot. Bonds4

About 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11646729) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11646729
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(O)ccc12
InChIInChI=1S/C22H30N2O4/c1-23(13-14-24-11-3-2-4-12-24)20(26)16-7-9-22(10-8-16)19-6-5-17(25)15-18(19)21(27)28-22/h5-6,15-16,25H,2-4,7-14H2,1H3
InChIKeyGMKQJKCOVYCLKP-UHFFFAOYSA-N
XLogP2.89
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11646729) is 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 5-hydroxy-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)c1cc(O)ccc12.
What is the InChIKey of 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is GMKQJKCOVYCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-23(13-14-24-11-3-2-4-12-24)20(26)16-7-9-22(10-8-16)19-6-5-17(25)15-18(19)21(27)28-22/h5-6,15-16,25H,2-4,7-14H2,1H3.
What are the key properties of 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11646729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).