5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C23H32N2O4 — CID 70696369

IUPAC5-(111C)methoxy-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[11CH3])ccc12
InChIInChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/i2-1
InChIKeyAEWLECDUIOHVBW-JVVVGQRLSA-N
MW399.52 g/mol
LogP3.20
Rot. Bonds5

About 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 70696369) has the molecular formula C23H32N2O4 and a molecular weight of 399.52 g/mol. Its IUPAC name is 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID70696369
Molecular FormulaC23H32N2O4
Molecular Weight399.52 g/mol
Exact Mass399.25
IUPAC Name5-(111C)methoxy-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[11CH3])ccc12
InChIInChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/i2-1
InChIKeyAEWLECDUIOHVBW-JVVVGQRLSA-N
XLogP3.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 70696369) is 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 5-(111C)methoxy-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[11CH3])ccc12.
What is the InChIKey of 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is AEWLECDUIOHVBW-JVVVGQRLSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/i2-1.
What are the key properties of 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(111C)methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 70696369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).