3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

C17H25FN2O — CID 109021052

IUPAC3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCC1CCCCN1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-2-16-5-3-4-11-20(16)12-10-17(21)19-13-14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyWWRHMLDPLBMHSA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.10
Rot. Bonds6

About 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 109021052) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID109021052
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCC1CCCCN1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-2-16-5-3-4-11-20(16)12-10-17(21)19-13-14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyWWRHMLDPLBMHSA-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
2-[[ethylamino-[2-(2-ethylpiperidin-1-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111567735
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-benzyl-2-[[N-[2-(2-ethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111567572
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 109021052) is 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is CCC1CCCCN1CCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is WWRHMLDPLBMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-16-5-3-4-11-20(16)12-10-17(21)19-13-14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,19,21).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109021052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).