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

C14H21N3O4 — CID 122123826

IUPAC5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)on1
InChIInChI=1S/C14H21N3O4/c1-9-5-11(13(18)19)8-17(7-9)14(20)15-4-3-12-6-10(2)16-21-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPHBJCWWFHHLTFI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.28
Rot. Bonds4

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

5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123826) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122123826
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)on1
InChIInChI=1S/C14H21N3O4/c1-9-5-11(13(18)19)8-17(7-9)14(20)15-4-3-12-6-10(2)16-21-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPHBJCWWFHHLTFI-UHFFFAOYSA-N
XLogP1.28
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-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

Related Compounds

5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845
1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
CID 90537576
(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016497
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122264
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
5-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122079
5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123950
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122123826) is 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is Cc1cc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)on1.
What is the InChIKey of 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PHBJCWWFHHLTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-5-11(13(18)19)8-17(7-9)14(20)15-4-3-12-6-10(2)16-21-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).