(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide

C17H16FN3O3 — CID 146129653

IUPAC(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1
InChIInChI=1S/C17H16FN3O3/c18-11-3-1-4-13(9-11)24-16-8-7-12(10-19-16)20-17(23)14-5-2-6-15(22)21-14/h1,3-4,7-10,14H,2,5-6H2,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyIEYXFVYLVRXZDW-CQSZACIVSA-N
MW329.33 g/mol
LogP2.62
Rot. Bonds4

About (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146129653) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide
PubChem CID146129653
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1
InChIInChI=1S/C17H16FN3O3/c18-11-3-1-4-13(9-11)24-16-8-7-12(10-19-16)20-17(23)14-5-2-6-15(22)21-14/h1,3-4,7-10,14H,2,5-6H2,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyIEYXFVYLVRXZDW-CQSZACIVSA-N
XLogP2.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide (CID 146129653) is (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1.
What is the InChIKey of (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is IEYXFVYLVRXZDW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-11-3-1-4-13(9-11)24-16-8-7-12(10-19-16)20-17(23)14-5-2-6-15(22)21-14/h1,3-4,7-10,14H,2,5-6H2,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146129653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).