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

C13H20N4O4 — CID 106420605

IUPAC3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1noc(CCNC(=O)N2CCCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C13H20N4O4/c1-9-15-10(21-16-9)4-6-14-12(20)17-7-3-5-13(2,8-17)11(18)19/h3-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyQUFLZCIGQJUTFT-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.82
Rot. Bonds4

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

3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 106420605) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID106420605
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1noc(CCNC(=O)N2CCCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C13H20N4O4/c1-9-15-10(21-16-9)4-6-14-12(20)17-7-3-5-13(2,8-17)11(18)19/h3-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyQUFLZCIGQJUTFT-UHFFFAOYSA-N
XLogP0.82
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide
CID 92631993
3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103822021
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 132969939
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 106420605) is 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is Cc1noc(CCNC(=O)N2CCCC(C)(C(=O)O)C2)n1.
What is the InChIKey of 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is QUFLZCIGQJUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-15-10(21-16-9)4-6-14-12(20)17-7-3-5-13(2,8-17)11(18)19/h3-8H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106420605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).