2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one

C16H24N2O4 — CID 118776796

IUPAC2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOCCOC1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1
InChIInChI=1S/C16H24N2O4/c1-12-10-13(19)11-15(17(12)2)16(20)18-6-4-14(5-7-18)22-9-8-21-3/h10-11,14H,4-9H2,1-3H3
InChIKeySTJOBVDXTTXRJL-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one

2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (PubChem CID 118776796) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
PubChem CID118776796
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOCCOC1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1
InChIInChI=1S/C16H24N2O4/c1-12-10-13(19)11-15(17(12)2)16(20)18-6-4-14(5-7-18)22-9-8-21-3/h10-11,14H,4-9H2,1-3H3
InChIKeySTJOBVDXTTXRJL-UHFFFAOYSA-N
XLogP0.96
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118784674
[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 91918283
1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one
CID 118765881
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
2-[(1R,6S,8R)-8-(4-methoxypiperidine-1-carbonyl)-3-azabicyclo[4.2.0]octane-3-carbonyl]-1,6-dimethylpyridin-4-one
CID 169415364
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 126433367
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918280
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 82692044
N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 131949645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (CID 118776796) is 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is COCCOC1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The InChIKey is STJOBVDXTTXRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12-10-13(19)11-15(17(12)2)16(20)18-6-4-14(5-7-18)22-9-8-21-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one has a molecular weight of 308.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 118776796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).