N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide

C12H16N2O3 — CID 43602232

IUPACN-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)oc1)C1CCNCC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-13-7-5-10)12(16)9-2-3-11(15)17-8-9/h2-3,8,10,13H,4-7H2,1H3
InChIKeyUEORHOZQSNXZFX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.46
Rot. Bonds2

About N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide

N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide (PubChem CID 43602232) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide
PubChem CID43602232
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)oc1)C1CCNCC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-13-7-5-10)12(16)9-2-3-11(15)17-8-9/h2-3,8,10,13H,4-7H2,1H3
InChIKeyUEORHOZQSNXZFX-UHFFFAOYSA-N
XLogP0.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide (CID 43602232) is N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide is CN(C(=O)c1ccc(=O)oc1)C1CCNCC1.
What is the InChIKey of N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide?
The InChIKey is UEORHOZQSNXZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(10-4-6-13-7-5-10)12(16)9-2-3-11(15)17-8-9/h2-3,8,10,13H,4-7H2,1H3.
What are the key properties of N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide?
N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide is sourced from PubChem (CID 43602232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).