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

C24H34ClFN2O4 — CID 87599139

IUPAC5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride
SMILESCN(CCC1CCCCN1)C(=O)C1CCC2(CC1)OC(=O)c1cc(OCCF)ccc12.Cl
InChIInChI=1S/C24H33FN2O4.ClH/c1-27(14-9-18-4-2-3-13-26-18)22(28)17-7-10-24(11-8-17)21-6-5-19(30-15-12-25)16-20(21)23(29)31-24;/h5-6,16-18,26H,2-4,7-15H2,1H3;1H
InChIKeyJBPQTJQCALRQTC-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.00
Rot. Bonds7

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

5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride (PubChem CID 87599139) has the molecular formula C24H34ClFN2O4 and a molecular weight of 469.00 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride
PubChem CID87599139
Molecular FormulaC24H34ClFN2O4
Molecular Weight469.00 g/mol
Exact Mass468.22
IUPAC Name5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride
SMILESCN(CCC1CCCCN1)C(=O)C1CCC2(CC1)OC(=O)c1cc(OCCF)ccc12.Cl
InChIInChI=1S/C24H33FN2O4.ClH/c1-27(14-9-18-4-2-3-13-26-18)22(28)17-7-10-24(11-8-17)21-6-5-19(30-15-12-25)16-20(21)23(29)31-24;/h5-6,16-18,26H,2-4,7-15H2,1H3;1H
InChIKeyJBPQTJQCALRQTC-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.00
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11596479
methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 158594299
5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11677118
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-yloxyspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11634052
5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11646729
N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride?
The IUPAC name of 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride (CID 87599139) is 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride is CN(CCC1CCCCN1)C(=O)C1CCC2(CC1)OC(=O)c1cc(OCCF)ccc12.Cl.
What is the InChIKey of 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride?
The InChIKey is JBPQTJQCALRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O4.ClH/c1-27(14-9-18-4-2-3-13-26-18)22(28)17-7-10-24(11-8-17)21-6-5-19(30-15-12-25)16-20(21)23(29)31-24;/h5-6,16-18,26H,2-4,7-15H2,1H3;1H.
What are the key properties of 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride?
5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride has a molecular weight of 469.00 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride is sourced from PubChem (CID 87599139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).