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

C23H32N2O4 — CID 11611851

IUPAC7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCOc1cccc2c1C1(CCC(C(=O)N(C)CCN3CCCCC3)CC1)OC2=O
InChIInChI=1S/C23H32N2O4/c1-24(15-16-25-13-4-3-5-14-25)21(26)17-9-11-23(12-10-17)20-18(22(27)29-23)7-6-8-19(20)28-2/h6-8,17H,3-5,9-16H2,1-2H3
InChIKeyHTAUIWGHWGTTSA-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.20
Rot. Bonds5

About 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11611851) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11611851
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCOc1cccc2c1C1(CCC(C(=O)N(C)CCN3CCCCC3)CC1)OC2=O
InChIInChI=1S/C23H32N2O4/c1-24(15-16-25-13-4-3-5-14-25)21(26)17-9-11-23(12-10-17)20-18(22(27)29-23)7-6-8-19(20)28-2/h6-8,17H,3-5,9-16H2,1-2H3
InChIKeyHTAUIWGHWGTTSA-UHFFFAOYSA-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 ≤ 500400.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11611851) is 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is COc1cccc2c1C1(CCC(C(=O)N(C)CCN3CCCCC3)CC1)OC2=O.
What is the InChIKey of 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is HTAUIWGHWGTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-24(15-16-25-13-4-3-5-14-25)21(26)17-9-11-23(12-10-17)20-18(22(27)29-23)7-6-8-19(20)28-2/h6-8,17H,3-5,9-16H2,1-2H3.
What are the key properties of 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 400.52 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 7-methoxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11611851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).