2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one

C15H21NO3 — CID 90647765

IUPAC2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C15H21NO3/c1-10(2)12-4-6-16(7-5-12)15(18)14-9-13(17)8-11(3)19-14/h8-10,12H,4-7H2,1-3H3
InChIKeyPTBLWTFWHDERHK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one

2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one (PubChem CID 90647765) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one
PubChem CID90647765
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C15H21NO3/c1-10(2)12-4-6-16(7-5-12)15(18)14-9-13(17)8-11(3)19-14/h8-10,12H,4-7H2,1-3H3
InChIKeyPTBLWTFWHDERHK-UHFFFAOYSA-N
XLogP2.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one?
The IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one (CID 90647765) is 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(C(C)C)CC2)o1.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one?
The InChIKey is PTBLWTFWHDERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)12-4-6-16(7-5-12)15(18)14-9-13(17)8-11(3)19-14/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one?
2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one has a molecular weight of 263.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylpiperidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 90647765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).