N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide

C17H23FN2O2 — CID 113092620

IUPACN-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1N1CCCCC1)C1CCOCC1
InChIInChI=1S/C17H23FN2O2/c18-14-4-5-16(20-8-2-1-3-9-20)15(12-14)19-17(21)13-6-10-22-11-7-13/h4-5,12-13H,1-3,6-11H2,(H,19,21)
InChIKeyGINJVDYRBJCTAX-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.18
Rot. Bonds3

About N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide

N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide (PubChem CID 113092620) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
PubChem CID113092620
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1N1CCCCC1)C1CCOCC1
InChIInChI=1S/C17H23FN2O2/c18-14-4-5-16(20-8-2-1-3-9-20)15(12-14)19-17(21)13-6-10-22-11-7-13/h4-5,12-13H,1-3,6-11H2,(H,19,21)
InChIKeyGINJVDYRBJCTAX-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide (CID 113092620) is N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide is O=C(Nc1cc(F)ccc1N1CCCCC1)C1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide?
The InChIKey is GINJVDYRBJCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-4-5-16(20-8-2-1-3-9-20)15(12-14)19-17(21)13-6-10-22-11-7-13/h4-5,12-13H,1-3,6-11H2,(H,19,21).
What are the key properties of N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide?
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 113092620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).