N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C20H23FN2O3 — CID 170502676

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-13-10-17(15-5-3-8-22-12-15)26-20(25)18(13)19(24)23-9-7-14-4-2-6-16(21)11-14/h2,4,6,10-11,15,22H,3,5,7-9,12H2,1H3,(H,23,24)
InChIKeyMUQCLJFHOYSORJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170502676) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170502676
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-13-10-17(15-5-3-8-22-12-15)26-20(25)18(13)19(24)23-9-7-14-4-2-6-16(21)11-14/h2,4,6,10-11,15,22H,3,5,7-9,12H2,1H3,(H,23,24)
InChIKeyMUQCLJFHOYSORJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170502676) is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is MUQCLJFHOYSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13-10-17(15-5-3-8-22-12-15)26-20(25)18(13)19(24)23-9-7-14-4-2-6-16(21)11-14/h2,4,6,10-11,15,22H,3,5,7-9,12H2,1H3,(H,23,24).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170502676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).