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

C14H20N2O4 — CID 122113554

IUPAC6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1
InChIInChI=1S/C14H20N2O4/c1-8(2)11-6-12(20-15-11)13(17)16-7-10(14(18)19)5-4-9(16)3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyRPSSHIDPUBPZHA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds3

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

6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122113554) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122113554
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1
InChIInChI=1S/C14H20N2O4/c1-8(2)11-6-12(20-15-11)13(17)16-7-10(14(18)19)5-4-9(16)3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyRPSSHIDPUBPZHA-UHFFFAOYSA-N
XLogP2.12
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113477
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
(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
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122112768
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122113554) is 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is CC(C)c1cc(C(=O)N2CC(C(=O)O)CCC2C)on1.
What is the InChIKey of 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RPSSHIDPUBPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(2)11-6-12(20-15-11)13(17)16-7-10(14(18)19)5-4-9(16)3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).