6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide

C16H21FN2O4 — CID 69467319

IUPAC6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
SMILESNC(=O)N1CCCCC1.O=C(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C10H9FO3.C6H12N2O/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13;7-6(9)8-4-2-1-3-5-8/h2,4-5,9H,1,3H2,(H,12,13);1-5H2,(H2,7,9)
InChIKeyWBABFHBGGVIIRD-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.15
Rot. Bonds1

About 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide

6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide (PubChem CID 69467319) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
PubChem CID69467319
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
SMILESNC(=O)N1CCCCC1.O=C(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C10H9FO3.C6H12N2O/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13;7-6(9)8-4-2-1-3-5-8/h2,4-5,9H,1,3H2,(H,12,13);1-5H2,(H2,7,9)
InChIKeyWBABFHBGGVIIRD-UHFFFAOYSA-N
XLogP2.15
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
ethyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 71249243
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 68654698
6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392785
ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 143613113
2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 59245322
2,2-dimethylpropanoyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 118312008
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide (CID 69467319) is 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide is NC(=O)N1CCCCC1.O=C(O)C1CCc2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide?
The InChIKey is WBABFHBGGVIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3.C6H12N2O/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13;7-6(9)8-4-2-1-3-5-8/h2,4-5,9H,1,3H2,(H,12,13);1-5H2,(H2,7,9).
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide?
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide is sourced from PubChem (CID 69467319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).