2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide

C17H23FN2O2 — CID 171361952

IUPAC2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C17H23FN2O2/c18-16-2-1-13(12-3-7-19-8-4-12)11-15(16)17(21)20-14-5-9-22-10-6-14/h1-2,11-12,14,19H,3-10H2,(H,20,21)
InChIKeyIGZLIIALDDQGNX-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.20
Rot. Bonds3

About 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide

2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide (PubChem CID 171361952) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
PubChem CID171361952
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C17H23FN2O2/c18-16-2-1-13(12-3-7-19-8-4-12)11-15(16)17(21)20-14-5-9-22-10-6-14/h1-2,11-12,14,19H,3-10H2,(H,20,21)
InChIKeyIGZLIIALDDQGNX-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361895
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436172
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60820882
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide?
The IUPAC name of 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide (CID 171361952) is 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide is O=C(NC1CCOCC1)c1cc(C2CCNCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide?
The InChIKey is IGZLIIALDDQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-16-2-1-13(12-3-7-19-8-4-12)11-15(16)17(21)20-14-5-9-22-10-6-14/h1-2,11-12,14,19H,3-10H2,(H,20,21).
What are the key properties of 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide?
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide has a molecular weight of 306.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 171361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).