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

C11H17N3O3 — CID 115077613

IUPAC3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1noc(CC2CCNCC2)n1
InChIInChI=1S/C11H17N3O3/c15-11(16)2-1-9-13-10(17-14-9)7-8-3-5-12-6-4-8/h8,12H,1-7H2,(H,15,16)
InChIKeyNMPKVFHHGONFPP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.63
Rot. Bonds5

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

3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid (PubChem CID 115077613) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
PubChem CID115077613
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1noc(CC2CCNCC2)n1
InChIInChI=1S/C11H17N3O3/c15-11(16)2-1-9-13-10(17-14-9)7-8-3-5-12-6-4-8/h8,12H,1-7H2,(H,15,16)
InChIKeyNMPKVFHHGONFPP-UHFFFAOYSA-N
XLogP0.63
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic 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

3-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081851
3-[5-[(1-ethylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077615
3-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078654
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
3-[5-(thian-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078455
5-(azepan-4-ylmethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120834202
3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608667
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275
N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116806158
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948432

Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid (CID 115077613) is 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid is O=C(O)CCc1noc(CC2CCNCC2)n1.
What is the InChIKey of 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The InChIKey is NMPKVFHHGONFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-11(16)2-1-9-13-10(17-14-9)7-8-3-5-12-6-4-8/h8,12H,1-7H2,(H,15,16).
What are the key properties of 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid is sourced from PubChem (CID 115077613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).