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

C17H26N2O3 — CID 118784674

IUPAC2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOCC(C)C1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1
InChIInChI=1S/C17H26N2O3/c1-12(11-22-4)14-5-7-19(8-6-14)17(21)16-10-15(20)9-13(2)18(16)3/h9-10,12,14H,5-8,11H2,1-4H3
InChIKeySBTDELPVHOFXTD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.83
Rot. Bonds4

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

2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (PubChem CID 118784674) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
PubChem CID118784674
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOCC(C)C1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1
InChIInChI=1S/C17H26N2O3/c1-12(11-22-4)14-5-7-19(8-6-14)17(21)16-10-15(20)9-13(2)18(16)3/h9-10,12,14H,5-8,11H2,1-4H3
InChIKeySBTDELPVHOFXTD-UHFFFAOYSA-N
XLogP1.83
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118776796
1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one
CID 118765881
2-[(1R,6S,8R)-8-(4-methoxypiperidine-1-carbonyl)-3-azabicyclo[4.2.0]octane-3-carbonyl]-1,6-dimethylpyridin-4-one
CID 169415364
1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 56881213
[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone
CID 126449562
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 126433367
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]methanone
CID 95867172
1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione
CID 125170714
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434119
[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 91918283
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (CID 118784674) is 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is COCC(C)C1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1.
What is the InChIKey of 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The InChIKey is SBTDELPVHOFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(11-22-4)14-5-7-19(8-6-14)17(21)16-10-15(20)9-13(2)18(16)3/h9-10,12,14H,5-8,11H2,1-4H3.
What are the key properties of 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one has a molecular weight of 306.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 118784674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).