3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

C18H28N2O3 — CID 97140093

IUPAC3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCOCCC[C@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C18H28N2O3/c1-13-12-14(2)19(3)17(21)16(13)18(22)20-10-6-5-8-15(20)9-7-11-23-4/h12,15H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyQGOLPHZYJFMWMU-OAHLLOKOSA-N
MW320.43 g/mol
LogP2.42
Rot. Bonds5

About 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 97140093) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID97140093
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCOCCC[C@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C18H28N2O3/c1-13-12-14(2)19(3)17(21)16(13)18(22)20-10-6-5-8-15(20)9-7-11-23-4/h12,15H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyQGOLPHZYJFMWMU-OAHLLOKOSA-N
XLogP2.42
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 97140093) is 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is COCCC[C@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is QGOLPHZYJFMWMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-12-14(2)19(3)17(21)16(13)18(22)20-10-6-5-8-15(20)9-7-11-23-4/h12,15H,5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 320.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 97140093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).