3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

C12H18N4O3S — CID 63138210

IUPAC3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C12H18N4O3S/c1-2-4-12(9(17)18)5-3-6-16(7-12)11(19)14-10-15-13-8-20-10/h8H,2-7H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyWNJIZSONGRPHNS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.04
Rot. Bonds4

About 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63138210) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63138210
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C12H18N4O3S/c1-2-4-12(9(17)18)5-3-6-16(7-12)11(19)14-10-15-13-8-20-10/h8H,2-7H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyWNJIZSONGRPHNS-UHFFFAOYSA-N
XLogP2.04
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46993792
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149020
1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63136658
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106191164
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106403146

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 63138210) is 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)Nc2nncs2)C1.
What is the InChIKey of 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is WNJIZSONGRPHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-4-12(9(17)18)5-3-6-16(7-12)11(19)14-10-15-13-8-20-10/h8H,2-7H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63138210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).