1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid

C15H20N2O4 — CID 122112855

IUPAC1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H20N2O4/c1-8-3-4-11(15(19)20)7-17(8)14(18)12-9(2)16-13(21-12)10-5-6-10/h8,10-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyQVSGBSMYSCAGRY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112855) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112855
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H20N2O4/c1-8-3-4-11(15(19)20)7-17(8)14(18)12-9(2)16-13(21-12)10-5-6-10/h8,10-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyQVSGBSMYSCAGRY-UHFFFAOYSA-N
XLogP2.19
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112855) is 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1nc(C2CC2)oc1C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is QVSGBSMYSCAGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8-3-4-11(15(19)20)7-17(8)14(18)12-9(2)16-13(21-12)10-5-6-10/h8,10-11H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).