1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid

C12H16N2O4 — CID 110836103

IUPAC1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cnc(CC(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C12H16N2O4/c1-8-7-13-10(18-8)6-11(15)14-4-2-9(3-5-14)12(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyAQPCZRLUDQNEGL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.85
Rot. Bonds3

About 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 110836103) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID110836103
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cnc(CC(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C12H16N2O4/c1-8-7-13-10(18-8)6-11(15)14-4-2-9(3-5-14)12(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyAQPCZRLUDQNEGL-UHFFFAOYSA-N
XLogP0.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-5-carboxylic acid
CID 121553842
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
CID 19018570
2-(1-Azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid
CID 19887592
tert-Butyl 4-(2-methyloxazol-5-yl)piperidine-1-carboxylate
CID 24229301
2-(1-Boc-pyrrolidin-3-yl)-5-methyloxazole
CID 71250559
4-[(5-Methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
CID 117822167
5-Methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 126906803
2-(1-Methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole
CID 126909013
4-(5-Methyl-1,3-oxazol-2-yl)piperidine-1-carboxylic acid
CID 138606615
1-(1,3-Oxazol-5-ylmethyl)piperidine-4-carboxylic acid
CID 139537578
5-Methyl-2-(1-methylpiperidin-4-yl)oxazole
CID 145588918
Tert-butyl 4-[5-(hydroxymethyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 170566148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid (CID 110836103) is 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid is Cc1cnc(CC(=O)N2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is AQPCZRLUDQNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-7-13-10(18-8)6-11(15)14-4-2-9(3-5-14)12(16)17/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 110836103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).