3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid

C17H25N3O4 — CID 26742590

IUPAC3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1
InChIInChI=1S/C17H25N3O4/c21-16(20-6-2-1-3-7-20)9-12-4-5-18-11-13(12)8-14-10-15(17(22)23)24-19-14/h10,12-13,18H,1-9,11H2,(H,22,23)/t12-,13-/m0/s1
InChIKeyLSALLSKRNIUIQQ-STQMWFEESA-N
MW335.40 g/mol
LogP1.54
Rot. Bonds5

About 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid

3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 26742590) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID26742590
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1
InChIInChI=1S/C17H25N3O4/c21-16(20-6-2-1-3-7-20)9-12-4-5-18-11-13(12)8-14-10-15(17(22)23)24-19-14/h10,12-13,18H,1-9,11H2,(H,22,23)/t12-,13-/m0/s1
InChIKeyLSALLSKRNIUIQQ-STQMWFEESA-N
XLogP1.54
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid (CID 26742590) is 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1.
What is the InChIKey of 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LSALLSKRNIUIQQ-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N3O4/c21-16(20-6-2-1-3-7-20)9-12-4-5-18-11-13(12)8-14-10-15(17(22)23)24-19-14/h10,12-13,18H,1-9,11H2,(H,22,23)/t12-,13-/m0/s1.
What are the key properties of 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 26742590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).