3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C17H26N2O3 — CID 56902436

IUPAC3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(C)C[C@H]1CN(C(=O)c2cccn(C)c2=O)CC[C@@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-12(2)10-13-11-19(9-7-17(13,3)22)16(21)14-6-5-8-18(4)15(14)20/h5-6,8,12-13,22H,7,9-11H2,1-4H3/t13-,17+/m0/s1
InChIKeyFTDWKDXAMKXPSG-SUMWQHHRSA-N
MW306.41 g/mol
LogP1.64
Rot. Bonds3

About 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 56902436) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID56902436
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(C)C[C@H]1CN(C(=O)c2cccn(C)c2=O)CC[C@@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-12(2)10-13-11-19(9-7-17(13,3)22)16(21)14-6-5-8-18(4)15(14)20/h5-6,8,12-13,22H,7,9-11H2,1-4H3/t13-,17+/m0/s1
InChIKeyFTDWKDXAMKXPSG-SUMWQHHRSA-N
XLogP1.64
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 133120517
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
CID 131702359
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
3-[4-(2-hydroxy-4-methylpentanoyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 134696920
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
3-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 95316272
3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634488
3-[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634504

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 56902436) is 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CC(C)C[C@H]1CN(C(=O)c2cccn(C)c2=O)CC[C@@]1(C)O.
What is the InChIKey of 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is FTDWKDXAMKXPSG-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)10-13-11-19(9-7-17(13,3)22)16(21)14-6-5-8-18(4)15(14)20/h5-6,8,12-13,22H,7,9-11H2,1-4H3/t13-,17+/m0/s1.
What are the key properties of 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 56902436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).