3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid

C13H19N3O4S — CID 63876641

IUPAC3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C13H19N3O4S/c17-12(18)3-6-20-11-1-4-16(5-2-11)13(19)14-7-10-8-21-9-15-10/h8-9,11H,1-7H2,(H,14,19)(H,17,18)
InChIKeyZLGFYMAQLQIEFH-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.31
Rot. Bonds6

About 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid

3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63876641) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63876641
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C13H19N3O4S/c17-12(18)3-6-20-11-1-4-16(5-2-11)13(19)14-7-10-8-21-9-15-10/h8-9,11H,1-7H2,(H,14,19)(H,17,18)
InChIKeyZLGFYMAQLQIEFH-UHFFFAOYSA-N
XLogP1.31
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 55251350
3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 113487066
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63875054
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 129329064
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid (CID 63876641) is 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)NCc2cscn2)CC1.
What is the InChIKey of 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is ZLGFYMAQLQIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-12(18)3-6-20-11-1-4-16(5-2-11)13(19)14-7-10-8-21-9-15-10/h8-9,11H,1-7H2,(H,14,19)(H,17,18).
What are the key properties of 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63876641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).