N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide

C21H24FN3O2 — CID 24791721

IUPACN-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2cccnc2)C1)NCc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-19-8-2-1-6-17(19)14-24-20(26)10-9-16-5-4-12-25(15-16)21(27)18-7-3-11-23-13-18/h1-3,6-8,11,13,16H,4-5,9-10,12,14-15H2,(H,24,26)
InChIKeyREIRUGFLXBSRDP-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.17
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 24791721) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID24791721
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2cccnc2)C1)NCc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-19-8-2-1-6-17(19)14-24-20(26)10-9-16-5-4-12-25(15-16)21(27)18-7-3-11-23-13-18/h1-3,6-8,11,13,16H,4-5,9-10,12,14-15H2,(H,24,26)
InChIKeyREIRUGFLXBSRDP-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide (CID 24791721) is N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)c2cccnc2)C1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is REIRUGFLXBSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-19-8-2-1-6-17(19)14-24-20(26)10-9-16-5-4-12-25(15-16)21(27)18-7-3-11-23-13-18/h1-3,6-8,11,13,16H,4-5,9-10,12,14-15H2,(H,24,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 369.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 24791721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).