2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one

C16H22N2O3 — CID 77088391

IUPAC2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(N3CCCCC3)C2)o1
InChIInChI=1S/C16H22N2O3/c1-12-9-14(19)10-15(21-12)16(20)18-8-5-13(11-18)17-6-3-2-4-7-17/h9-10,13H,2-8,11H2,1H3
InChIKeyLSLJIUFHMLMMLT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.65
Rot. Bonds2

About 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one

2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one (PubChem CID 77088391) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one
PubChem CID77088391
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(N3CCCCC3)C2)o1
InChIInChI=1S/C16H22N2O3/c1-12-9-14(19)10-15(21-12)16(20)18-8-5-13(11-18)17-6-3-2-4-7-17/h9-10,13H,2-8,11H2,1H3
InChIKeyLSLJIUFHMLMMLT-UHFFFAOYSA-N
XLogP1.65
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one?
The IUPAC name of 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one (CID 77088391) is 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(N3CCCCC3)C2)o1.
What is the InChIKey of 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one?
The InChIKey is LSLJIUFHMLMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-9-14(19)10-15(21-12)16(20)18-8-5-13(11-18)17-6-3-2-4-7-17/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one?
2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one has a molecular weight of 290.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 77088391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).