1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C22H25FN2O2 — CID 131640976

IUPAC1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H25FN2O2/c1-24(2)21(26)20-18-5-3-4-6-19(18)22(27-20)11-13-25(14-12-22)15-16-7-9-17(23)10-8-16/h3-10,20H,11-15H2,1-2H3
InChIKeyVRZTXHPQUHQMJC-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.48
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131640976) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131640976
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H25FN2O2/c1-24(2)21(26)20-18-5-3-4-6-19(18)22(27-20)11-13-25(14-12-22)15-16-7-9-17(23)10-8-16/h3-10,20H,11-15H2,1-2H3
InChIKeyVRZTXHPQUHQMJC-UHFFFAOYSA-N
XLogP3.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131640976) is 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is VRZTXHPQUHQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-24(2)21(26)20-18-5-3-4-6-19(18)22(27-20)11-13-25(14-12-22)15-16-7-9-17(23)10-8-16/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131640976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).