1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C16H22N2O5 — CID 56867986

IUPAC1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22)
InChIKeyXUQPFDXTSRWQQR-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.31
Rot. Bonds3

About 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56867986) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56867986
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22)
InChIKeyXUQPFDXTSRWQQR-UHFFFAOYSA-N
XLogP0.31
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one
CID 118790729
6-ethyl-1,5-dimethyl-3-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 163304951
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-6-ethyl-1,5-dimethylpyridin-2-one
CID 56902271
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632734
6-ethyl-3-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 72888481
3-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 70773007
6-ethyl-1,5-dimethyl-3-[4-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72881709
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155502095
4-hydroxy-1-(2-methyl-4-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119252038
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
CID 154899380

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 56867986) is 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is CCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C.
What is the InChIKey of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XUQPFDXTSRWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56867986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).