4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

C14H20N2O4 — CID 72890012

IUPAC4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-3-10-6-9(7-12(18)15-10)13(19)16-5-4-14(2,20)11(17)8-16/h6-7,11,17,20H,3-5,8H2,1-2H3,(H,15,18)/t11-,14+/m0/s1
InChIKeyOAUVTWBYWZVAHP-SMDDNHRTSA-N
MW280.32 g/mol
LogP-0.10
Rot. Bonds2

About 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (PubChem CID 72890012) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
PubChem CID72890012
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-3-10-6-9(7-12(18)15-10)13(19)16-5-4-14(2,20)11(17)8-16/h6-7,11,17,20H,3-5,8H2,1-2H3,(H,15,18)/t11-,14+/m0/s1
InChIKeyOAUVTWBYWZVAHP-SMDDNHRTSA-N
XLogP-0.10
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
CID 146131241
6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 74232175
2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118781576
[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 72936321
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139000199
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 155947310
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72850528
6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one
CID 74235207
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70771275
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (CID 72890012) is 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is CCc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is OAUVTWBYWZVAHP-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-6-9(7-12(18)15-10)13(19)16-5-4-14(2,20)11(17)8-16/h6-7,11,17,20H,3-5,8H2,1-2H3,(H,15,18)/t11-,14+/m0/s1.
What are the key properties of 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 280.32 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 72890012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).