3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide

C16H24FN3O — CID 81452753

IUPAC3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
SMILESCCC1CN(CCC(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C16H24FN3O/c1-2-12-11-20(9-7-14(12)18)10-8-16(21)19-15-6-4-3-5-13(15)17/h3-6,12,14H,2,7-11,18H2,1H3,(H,19,21)
InChIKeyBDMIKFVMUMUKOK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide

3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 81452753) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
PubChem CID81452753
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
SMILESCCC1CN(CCC(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C16H24FN3O/c1-2-12-11-20(9-7-14(12)18)10-8-16(21)19-15-6-4-3-5-13(15)17/h3-6,12,14H,2,7-11,18H2,1H3,(H,19,21)
InChIKeyBDMIKFVMUMUKOK-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 81452018
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
CID 91836390
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide (CID 81452753) is 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide is CCC1CN(CCC(=O)Nc2ccccc2F)CCC1N.
What is the InChIKey of 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is BDMIKFVMUMUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-12-11-20(9-7-14(12)18)10-8-16(21)19-15-6-4-3-5-13(15)17/h3-6,12,14H,2,7-11,18H2,1H3,(H,19,21).
What are the key properties of 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide?
3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 81452753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).