1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

C13H20N4O4 — CID 106403146

IUPAC1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCc2ncon2)C1
InChIInChI=1S/C13H20N4O4/c1-2-4-13(11(18)19)5-3-6-17(8-13)12(20)14-7-10-15-9-21-16-10/h9H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyDUMQQPLVNJMRLL-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.25
Rot. Bonds5

About 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 106403146) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID106403146
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCc2ncon2)C1
InChIInChI=1S/C13H20N4O4/c1-2-4-13(11(18)19)5-3-6-17(8-13)12(20)14-7-10-15-9-21-16-10/h9H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyDUMQQPLVNJMRLL-UHFFFAOYSA-N
XLogP1.25
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 106402628
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106191164
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227692
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138210
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106406108

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (CID 106403146) is 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)NCc2ncon2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is DUMQQPLVNJMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-4-13(11(18)19)5-3-6-17(8-13)12(20)14-7-10-15-9-21-16-10/h9H,2-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 106403146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).