3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide

C14H19FN2O — CID 57438789

IUPAC3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(c2cccc(C(N)=O)c2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-17-8-6-10(7-9-17)11-4-3-5-12(13(11)15)14(16)18/h3-5,10H,2,6-9H2,1H3,(H2,16,18)
InChIKeyWJEVYGNWVAMMHB-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.12
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide

3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (PubChem CID 57438789) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
PubChem CID57438789
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(c2cccc(C(N)=O)c2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-17-8-6-10(7-9-17)11-4-3-5-12(13(11)15)14(16)18/h3-5,10H,2,6-9H2,1H3,(H2,16,18)
InChIKeyWJEVYGNWVAMMHB-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (CID 57438789) is 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is CCN1CCC(c2cccc(C(N)=O)c2F)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The InChIKey is WJEVYGNWVAMMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17-8-6-10(7-9-17)11-4-3-5-12(13(11)15)14(16)18/h3-5,10H,2,6-9H2,1H3,(H2,16,18).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 57438789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).