4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

C12H16N2O4 — CID 66336150

IUPAC4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4/c1-8-7-13-18-9(8)10(15)14-5-3-12(2,4-6-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyYQBMEWRFOUHZTD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.31
Rot. Bonds2

About 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 66336150) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID66336150
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4/c1-8-7-13-18-9(8)10(15)14-5-3-12(2,4-6-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyYQBMEWRFOUHZTD-UHFFFAOYSA-N
XLogP1.31
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66334789
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 115875321
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123584
4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 55176600
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
1-(5-ethyl-3-methylfuran-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 126790611

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (CID 66336150) is 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is Cc1cnoc1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is YQBMEWRFOUHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-7-13-18-9(8)10(15)14-5-3-12(2,4-6-14)11(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 66336150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).