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

C20H21FN2O3 — CID 126474219

IUPACN-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC2(CC1)OCc1ccccc1O2
InChIInChI=1S/C20H21FN2O3/c21-17-6-3-4-15(12-17)13-22-19(24)23-10-8-20(9-11-23)25-14-16-5-1-2-7-18(16)26-20/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyRZDOBEISKKQWFH-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.44
Rot. Bonds2

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

N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (PubChem CID 126474219) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
PubChem CID126474219
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC2(CC1)OCc1ccccc1O2
InChIInChI=1S/C20H21FN2O3/c21-17-6-3-4-15(12-17)13-22-19(24)23-10-8-20(9-11-23)25-14-16-5-1-2-7-18(16)26-20/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyRZDOBEISKKQWFH-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (CID 126474219) is N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is O=C(NCc1cccc(F)c1)N1CCC2(CC1)OCc1ccccc1O2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is RZDOBEISKKQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-6-3-4-15(12-17)13-22-19(24)23-10-8-20(9-11-23)25-14-16-5-1-2-7-18(16)26-20/h1-7,12H,8-11,13-14H2,(H,22,24).
What are the key properties of N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126474219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).