2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide

C18H21FN4O — CID 75417103

IUPAC2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(Nc2cccc(F)n2)CC1)Nc1ccccc1
InChIInChI=1S/C18H21FN4O/c19-16-7-4-8-17(22-16)20-15-9-11-23(12-10-15)13-18(24)21-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,20,22)(H,21,24)
InChIKeyKROAXZMSJRJYJR-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 75417103) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID75417103
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(Nc2cccc(F)n2)CC1)Nc1ccccc1
InChIInChI=1S/C18H21FN4O/c19-16-7-4-8-17(22-16)20-15-9-11-23(12-10-15)13-18(24)21-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,20,22)(H,21,24)
InChIKeyKROAXZMSJRJYJR-UHFFFAOYSA-N
XLogP2.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide (CID 75417103) is 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(Nc2cccc(F)n2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is KROAXZMSJRJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-7-4-8-17(22-16)20-15-9-11-23(12-10-15)13-18(24)21-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,20,22)(H,21,24).
What are the key properties of 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 75417103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).