6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide

C13H18N2O3 — CID 91796718

IUPAC6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCCN(C)C2)o1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)7-12(18-9)13(17)14-10-4-3-5-15(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyAMXJFBLTNFNYRM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.77
Rot. Bonds2

About 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide

6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide (PubChem CID 91796718) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide
PubChem CID91796718
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCCN(C)C2)o1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)7-12(18-9)13(17)14-10-4-3-5-15(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyAMXJFBLTNFNYRM-UHFFFAOYSA-N
XLogP0.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide (CID 91796718) is 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CCCN(C)C2)o1.
What is the InChIKey of 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide?
The InChIKey is AMXJFBLTNFNYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-11(16)7-12(18-9)13(17)14-10-4-3-5-15(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,14,17).
What are the key properties of 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide?
6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylpiperidin-3-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91796718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).