3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid

C10H15N5O3S — CID 114913332

IUPAC3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Nc2nnns2)CC1
InChIInChI=1S/C10H15N5O3S/c16-8(17)2-1-7-3-5-15(6-4-7)10(18)11-9-12-13-14-19-9/h7H,1-6H2,(H,16,17)(H,11,12,14,18)
InChIKeyZBMVKNVQDVOJFR-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.04
Rot. Bonds4

About 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 114913332) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID114913332
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Nc2nnns2)CC1
InChIInChI=1S/C10H15N5O3S/c16-8(17)2-1-7-3-5-15(6-4-7)10(18)11-9-12-13-14-19-9/h7H,1-6H2,(H,16,17)(H,11,12,14,18)
InChIKeyZBMVKNVQDVOJFR-UHFFFAOYSA-N
XLogP1.04
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 114913556
2-[8-(thiatriazol-5-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114913490
4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
2-[4-(thiatriazol-5-ylcarbamoyl)thiomorpholin-3-yl]acetic acid
CID 114913395
3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 81177584
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 82873510
3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 114913385
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216069
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid (CID 114913332) is 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)Nc2nnns2)CC1.
What is the InChIKey of 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is ZBMVKNVQDVOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c16-8(17)2-1-7-3-5-15(6-4-7)10(18)11-9-12-13-14-19-9/h7H,1-6H2,(H,16,17)(H,11,12,14,18).
What are the key properties of 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 285.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 114913332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).