3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid

C12H17N3O3S — CID 62217199

IUPAC3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)2-1-9-3-6-15(7-4-9)12(18)14-11-13-5-8-19-11/h5,8-9H,1-4,6-7H2,(H,16,17)(H,13,14,18)
InChIKeyRHXSOFXBGSWXLD-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.25
Rot. Bonds4

About 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 62217199) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID62217199
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)2-1-9-3-6-15(7-4-9)12(18)14-11-13-5-8-19-11/h5,8-9H,1-4,6-7H2,(H,16,17)(H,13,14,18)
InChIKeyRHXSOFXBGSWXLD-UHFFFAOYSA-N
XLogP2.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid (CID 62217199) is 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is RHXSOFXBGSWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-10(17)2-1-9-3-6-15(7-4-9)12(18)14-11-13-5-8-19-11/h5,8-9H,1-4,6-7H2,(H,16,17)(H,13,14,18).
What are the key properties of 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).