3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide

C16H19FN2O2 — CID 126824314

IUPAC3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
SMILESC#CC1(O)CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN2O2/c1-2-16(21)7-10-19(11-8-16)9-6-15(20)18-14-5-3-4-13(17)12-14/h1,3-5,12,21H,6-11H2,(H,18,20)
InChIKeyRIAFUIRGBHCHKX-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide

3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 126824314) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
PubChem CID126824314
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
SMILESC#CC1(O)CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN2O2/c1-2-16(21)7-10-19(11-8-16)9-6-15(20)18-14-5-3-4-13(17)12-14/h1,3-5,12,21H,6-11H2,(H,18,20)
InChIKeyRIAFUIRGBHCHKX-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.61
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

3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 126830524
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(3-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43065834
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
CID 119927376

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide (CID 126824314) is 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide is C#CC1(O)CCN(CCC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is RIAFUIRGBHCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-16(21)7-10-19(11-8-16)9-6-15(20)18-14-5-3-4-13(17)12-14/h1,3-5,12,21H,6-11H2,(H,18,20).
What are the key properties of 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide?
3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 290.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 126824314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).