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

C23H31FN2O4 — CID 11705162

IUPAC5-(fluoromethoxy)-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(OCF)ccc12
InChIInChI=1S/C23H31FN2O4/c1-25(13-14-26-11-3-2-4-12-26)21(27)17-7-9-23(10-8-17)20-6-5-18(29-16-24)15-19(20)22(28)30-23/h5-6,15,17H,2-4,7-14,16H2,1H3
InChIKeyBBBBLLAYIIKSOR-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.49
Rot. Bonds6

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

5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11705162) has the molecular formula C23H31FN2O4 and a molecular weight of 418.51 g/mol. Its IUPAC name is 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11705162
Molecular FormulaC23H31FN2O4
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Name5-(fluoromethoxy)-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(OCF)ccc12
InChIInChI=1S/C23H31FN2O4/c1-25(13-14-26-11-3-2-4-12-26)21(27)17-7-9-23(10-8-17)20-6-5-18(29-16-24)15-19(20)22(28)30-23/h5-6,15,17H,2-4,7-14,16H2,1H3
InChIKeyBBBBLLAYIIKSOR-UHFFFAOYSA-N
XLogP3.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11705162) is 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 5-(fluoromethoxy)-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(OCF)ccc12.
What is the InChIKey of 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is BBBBLLAYIIKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O4/c1-25(13-14-26-11-3-2-4-12-26)21(27)17-7-9-23(10-8-17)20-6-5-18(29-16-24)15-19(20)22(28)30-23/h5-6,15,17H,2-4,7-14,16H2,1H3.
What are the key properties of 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11705162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).