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

C15H19FN2O3 — CID 47012412

IUPAC1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H19FN2O3/c16-12-5-10(14-11(6-12)8-20-9-21-14)7-18-4-2-1-3-13(18)15(17)19/h5-6,13H,1-4,7-9H2,(H2,17,19)
InChIKeyXVJNGTYZMWDCCK-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.53
Rot. Bonds3

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

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide (PubChem CID 47012412) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
PubChem CID47012412
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H19FN2O3/c16-12-5-10(14-11(6-12)8-20-9-21-14)7-18-4-2-1-3-13(18)15(17)19/h5-6,13H,1-4,7-9H2,(H2,17,19)
InChIKeyXVJNGTYZMWDCCK-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 47012409
2-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 51339351
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55931022
N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
CID 34901048
(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100855691
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415
ethyl 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxylate
CID 47012082
ethyl (2S)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperidine-2-carboxylate
CID 51565709
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
(2S,4S)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95347335

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide (CID 47012412) is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1cc(F)cc2c1OCOC2.
What is the InChIKey of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The InChIKey is XVJNGTYZMWDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-5-10(14-11(6-12)8-20-9-21-14)7-18-4-2-1-3-13(18)15(17)19/h5-6,13H,1-4,7-9H2,(H2,17,19).
What are the key properties of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 47012412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).