4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide

C16H19FN2O2 — CID 61223453

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(F)cc2C#CCO)C1
InChIInChI=1S/C16H19FN2O2/c1-19-8-2-5-14(11-19)18-16(21)15-7-6-13(17)10-12(15)4-3-9-20/h6-7,10,14,20H,2,5,8-9,11H2,1H3,(H,18,21)
InChIKeySTXVYIYWLCIHBH-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.99
Rot. Bonds2

About 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 61223453) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID61223453
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(F)cc2C#CCO)C1
InChIInChI=1S/C16H19FN2O2/c1-19-8-2-5-14(11-19)18-16(21)15-7-6-13(17)10-12(15)4-3-9-20/h6-7,10,14,20H,2,5,8-9,11H2,1H3,(H,18,21)
InChIKeySTXVYIYWLCIHBH-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223454
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 107521495
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197518
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
(2,3-dimethylpiperidin-1-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62124182

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide (CID 61223453) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccc(F)cc2C#CCO)C1.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is STXVYIYWLCIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-19-8-2-5-14(11-19)18-16(21)15-7-6-13(17)10-12(15)4-3-9-20/h6-7,10,14,20H,2,5,8-9,11H2,1H3,(H,18,21).
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide?
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 290.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 61223453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).