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

C15H23N3O5 — CID 22343334

IUPAC3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(CCC(=O)O)n2)CC1
InChIInChI=1S/C15H23N3O5/c1-15(2,3)22-14(21)18-8-6-10(7-9-18)13-16-11(23-17-13)4-5-12(19)20/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyPPKCKJQQTXDNLY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.20
Rot. Bonds4

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

3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 22343334) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID22343334
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(CCC(=O)O)n2)CC1
InChIInChI=1S/C15H23N3O5/c1-15(2,3)22-14(21)18-8-6-10(7-9-18)13-16-11(23-17-13)4-5-12(19)20/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyPPKCKJQQTXDNLY-UHFFFAOYSA-N
XLogP2.20
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid (CID 22343334) is 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid is CC(C)(C)OC(=O)N1CCC(c2noc(CCC(=O)O)n2)CC1.
What is the InChIKey of 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is PPKCKJQQTXDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-15(2,3)22-14(21)18-8-6-10(7-9-18)13-16-11(23-17-13)4-5-12(19)20/h10H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 22343334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).