4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one

C17H25NO3 — CID 169418871

IUPAC4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCCCC2)c(=O)o1
InChIInChI=1S/C17H25NO3/c1-4-8-12(2)14-11-13(3)15(17(20)21-14)16(19)18-9-6-5-7-10-18/h11-12H,4-10H2,1-3H3
InChIKeyHGWNDZMLSSAXHL-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.48
Rot. Bonds4

About 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one

4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one (PubChem CID 169418871) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
PubChem CID169418871
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCCCC2)c(=O)o1
InChIInChI=1S/C17H25NO3/c1-4-8-12(2)14-11-13(3)15(17(20)21-14)16(19)18-9-6-5-7-10-18/h11-12H,4-10H2,1-3H3
InChIKeyHGWNDZMLSSAXHL-UHFFFAOYSA-N
XLogP3.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one?
The IUPAC name of 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one (CID 169418871) is 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one is CCCC(C)c1cc(C)c(C(=O)N2CCCCC2)c(=O)o1.
What is the InChIKey of 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one?
The InChIKey is HGWNDZMLSSAXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-8-12(2)14-11-13(3)15(17(20)21-14)16(19)18-9-6-5-7-10-18/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one?
4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one has a molecular weight of 291.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 169418871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).