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

C14H19FN2O — CID 17249712

IUPACN-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-17-9-7-11(8-10-17)16-14(18)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyIRHJVWRBOXSJKO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds3

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

N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (PubChem CID 17249712) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
PubChem CID17249712
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-17-9-7-11(8-10-17)16-14(18)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyIRHJVWRBOXSJKO-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (CID 17249712) is N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is CCN1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The InChIKey is IRHJVWRBOXSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17-9-7-11(8-10-17)16-14(18)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 17249712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).