1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide

C21H23FN2O3 — CID 71902775

IUPAC1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(F)cc3c2OC(c2ccccc2)OC3)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-10-16(12-24-8-6-14(7-9-24)20(23)25)19-17(11-18)13-26-21(27-19)15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2,(H2,23,25)
InChIKeyBBWACDAZNGYXSF-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.13
Rot. Bonds4

About 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide

1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide (PubChem CID 71902775) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
PubChem CID71902775
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(F)cc3c2OC(c2ccccc2)OC3)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-10-16(12-24-8-6-14(7-9-24)20(23)25)19-17(11-18)13-26-21(27-19)15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2,(H2,23,25)
InChIKeyBBWACDAZNGYXSF-UHFFFAOYSA-N
XLogP3.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide (CID 71902775) is 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cc(F)cc3c2OC(c2ccccc2)OC3)CC1.
What is the InChIKey of 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide?
The InChIKey is BBWACDAZNGYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-10-16(12-24-8-6-14(7-9-24)20(23)25)19-17(11-18)13-26-21(27-19)15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2,(H2,23,25).
What are the key properties of 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide?
1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71902775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).