2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

C15H22N2O3 — CID 930353

IUPAC2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11-10-13(18)20-12(2)14(11)15(19)16-6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,16,19)
InChIKeyOXSIYFXSXAYRNX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.47
Rot. Bonds4

About 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (PubChem CID 930353) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
PubChem CID930353
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11-10-13(18)20-12(2)14(11)15(19)16-6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,16,19)
InChIKeyOXSIYFXSXAYRNX-UHFFFAOYSA-N
XLogP1.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (CID 930353) is 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The InChIKey is OXSIYFXSXAYRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-10-13(18)20-12(2)14(11)15(19)16-6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 930353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).