1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C15H16N4O3S — CID 122092432

IUPAC1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-c3nncs3)cc2)C1
InChIInChI=1S/C15H16N4O3S/c20-14(21)11-2-1-7-19(8-11)15(22)17-12-5-3-10(4-6-12)13-18-16-9-23-13/h3-6,9,11H,1-2,7-8H2,(H,17,22)(H,20,21)
InChIKeyUFUTVKFMGSODPF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.53
Rot. Bonds3

About 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122092432) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122092432
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-c3nncs3)cc2)C1
InChIInChI=1S/C15H16N4O3S/c20-14(21)11-2-1-7-19(8-11)15(22)17-12-5-3-10(4-6-12)13-18-16-9-23-13/h3-6,9,11H,1-2,7-8H2,(H,17,22)(H,20,21)
InChIKeyUFUTVKFMGSODPF-UHFFFAOYSA-N
XLogP2.53
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074299
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122079098
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122077497
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122092432) is 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ccc(-c3nncs3)cc2)C1.
What is the InChIKey of 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UFUTVKFMGSODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14(21)11-2-1-7-19(8-11)15(22)17-12-5-3-10(4-6-12)13-18-16-9-23-13/h3-6,9,11H,1-2,7-8H2,(H,17,22)(H,20,21).
What are the key properties of 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122092432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).