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

C18H28N2O3 — CID 70759441

IUPAC3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCOCCCC1CCCCN1C(=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
InChIKeyQGOLPHZYJFMWMU-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.42
Rot. Bonds5

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

3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 70759441) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID70759441
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCOCCCC1CCCCN1C(=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
InChIKeyQGOLPHZYJFMWMU-UHFFFAOYSA-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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Related Compounds

5-Chloro-3-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-4,6-dimethyl-2-pyridinol
CID 70747460
5-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 70783689
5-chloro-3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 96393449
5-chloro-3-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 96393450
3-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 97140093
3-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 97140094
5-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 97153911
5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 97153912
3-(2-Ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one
CID 110855975
1-Cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one
CID 110855976
3-{[2-(3-Methoxypropyl)piperidin-1-yl]carbonyl}-4,5,6-trimethylpyridin-2-ol
CID 132406363
6-Isopropyl-3-{[2-(3-methoxypropyl)piperidin-1-yl]carbonyl}pyridin-2-ol
CID 132409817

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 70759441) is 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is COCCCC1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is QGOLPHZYJFMWMU-UHFFFAOYSA-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.
What are the key properties of 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[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-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 70759441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).