6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

C16H24N2O4 — CID 122113477

IUPAC6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1
InChIInChI=1S/C16H24N2O4/c1-4-11(5-2)13-8-14(22-17-13)15(19)18-9-12(16(20)21)7-6-10(18)3/h8,10-12H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyMCDXURPSLJIZNG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.90
Rot. Bonds5

About 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122113477) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122113477
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1
InChIInChI=1S/C16H24N2O4/c1-4-11(5-2)13-8-14(22-17-13)15(19)18-9-12(16(20)21)7-6-10(18)3/h8,10-12H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyMCDXURPSLJIZNG-UHFFFAOYSA-N
XLogP2.90
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113554
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
6-methyl-1-(5-methylsulfanylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 122113590
1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236501
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776593

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122113477) is 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is CCC(CC)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1.
What is the InChIKey of 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MCDXURPSLJIZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-11(5-2)13-8-14(22-17-13)15(19)18-9-12(16(20)21)7-6-10(18)3/h8,10-12H,4-7,9H2,1-3H3,(H,20,21).
What are the key properties of 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).