N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide

C13H20N2O2 — CID 4883351

IUPACN-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN2C(C)CCCC2C)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(2)15(9)14-13(16)12-8-7-11(3)17-12/h7-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyKIMDEOKRVBTJME-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds2

About N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide

N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide (PubChem CID 4883351) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide
PubChem CID4883351
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN2C(C)CCCC2C)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(2)15(9)14-13(16)12-8-7-11(3)17-12/h7-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyKIMDEOKRVBTJME-UHFFFAOYSA-N
XLogP2.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide (CID 4883351) is N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NN2C(C)CCCC2C)o1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide?
The InChIKey is KIMDEOKRVBTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-4-6-10(2)15(9)14-13(16)12-8-7-11(3)17-12/h7-10H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide?
N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 4883351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).