N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide

C20H24FN3O — CID 45215845

IUPACN-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cccnc2)C1)Nc1ccccc1F
InChIInChI=1S/C20H24FN3O/c21-18-7-1-2-8-19(18)23-20(25)10-9-16-6-4-12-24(14-16)15-17-5-3-11-22-13-17/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,25)
InChIKeyKZTZVVNQWCTFRE-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.85
Rot. Bonds6

About N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45215845) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
PubChem CID45215845
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cccnc2)C1)Nc1ccccc1F
InChIInChI=1S/C20H24FN3O/c21-18-7-1-2-8-19(18)23-20(25)10-9-16-6-4-12-24(14-16)15-17-5-3-11-22-13-17/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,25)
InChIKeyKZTZVVNQWCTFRE-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide (CID 45215845) is N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2cccnc2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is KZTZVVNQWCTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-7-1-2-8-19(18)23-20(25)10-9-16-6-4-12-24(14-16)15-17-5-3-11-22-13-17/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,25).
What are the key properties of N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45215845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).