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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Related Compounds

4-methyl-6-(1-methylbutyl)-3-{[4-(trifluoromethyl)-1-piperidinyl]carbonyl}-2H-pyran-2-one
CID 170503760
3-[(3-fluoro-1-azetidinyl)carbonyl]-4-methyl-6-(1-methylbutyl)-2H-pyran-2-one
CID 170503893
N-ethyl-4-methyl-2-oxo-6-(3-piperidinyl)-N-(2,2,2-trifluoroethyl)-2H-pyran-3-carboxamide hydrochloride
CID 170505880
3-[(6,6-difluoro-3-azabicyclo[3.1.0]hex-3-yl)carbonyl]-4-methyl-6-(3-methylbutyl)-2H-pyran-2-one
CID 170508556
4-methyl-6-(3-methylbutyl)-3-{[2-(trifluoromethyl)-4-morpholinyl]carbonyl}-2H-pyran-2-one
CID 170509014
6-cyclobutyl-4-methyl-3-{[4-(trifluoromethoxy)-1-piperidinyl]carbonyl}-2H-pyran-2-one
CID 170510104
4-methyl-6-(3-methylbutyl)-3-{[3-(trifluoromethyl)-1-piperidinyl]carbonyl}-2H-pyran-2-one
CID 170510141
4-methyl-6-(1-methylbutyl)-3-{[4-(2,2,2-trifluoroethyl)-1-piperazinyl]carbonyl}-2H-pyran-2-one
CID 170511312
3-[(3,3-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(1-methylbutyl)-2H-pyran-2-one
CID 170511464
6-cyclobutyl-3-[(4,4-difluoro-1-piperidinyl)carbonyl]-4-methyl-2H-pyran-2-one
CID 170512442
3-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-methyl-6-(1-methylbutyl)-2H-pyran-2-one
CID 170512511
N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride
CID 171709211

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).