3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid

C13H20N4O4 — CID 106404052

IUPAC3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCCc1ncno1
InChIInChI=1S/C13H20N4O4/c18-12(19)5-4-10-3-1-2-8-17(10)13(20)14-7-6-11-15-9-16-21-11/h9-10H,1-8H2,(H,14,20)(H,18,19)
InChIKeyIQHZLYPRHKXVMG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.04
Rot. Bonds6

About 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid

3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 106404052) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid
PubChem CID106404052
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCCc1ncno1
InChIInChI=1S/C13H20N4O4/c18-12(19)5-4-10-3-1-2-8-17(10)13(20)14-7-6-11-15-9-16-21-11/h9-10H,1-8H2,(H,14,20)(H,18,19)
InChIKeyIQHZLYPRHKXVMG-UHFFFAOYSA-N
XLogP1.04
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62980664
3-[1-[2-(1,2,4-triazol-1-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 155950320
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212389
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid (CID 106404052) is 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NCCc1ncno1.
What is the InChIKey of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is IQHZLYPRHKXVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c18-12(19)5-4-10-3-1-2-8-17(10)13(20)14-7-6-11-15-9-16-21-11/h9-10H,1-8H2,(H,14,20)(H,18,19).
What are the key properties of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 106404052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).