3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid

C9H13N5O3S — CID 114913385

IUPAC3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2nnns2)C1
InChIInChI=1S/C9H13N5O3S/c1-9(6(15)16)3-2-4-14(5-9)8(17)10-7-11-12-13-18-7/h2-5H2,1H3,(H,15,16)(H,10,11,13,17)
InChIKeyLSWPQCQTSUULHZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.65
Rot. Bonds2

About 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 114913385) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID114913385
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2nnns2)C1
InChIInChI=1S/C9H13N5O3S/c1-9(6(15)16)3-2-4-14(5-9)8(17)10-7-11-12-13-18-7/h2-5H2,1H3,(H,15,16)(H,10,11,13,17)
InChIKeyLSWPQCQTSUULHZ-UHFFFAOYSA-N
XLogP0.65
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138087
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55166836
3-methyl-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074778
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid (CID 114913385) is 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)Nc2nnns2)C1.
What is the InChIKey of 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is LSWPQCQTSUULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-9(6(15)16)3-2-4-14(5-9)8(17)10-7-11-12-13-18-7/h2-5H2,1H3,(H,15,16)(H,10,11,13,17).
What are the key properties of 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114913385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).