3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

C11H15N3O3S — CID 63138087

IUPAC3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c1-11(8(15)16)3-2-5-14(7-11)10(17)13-9-12-4-6-18-9/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,12,13,17)
InChIKeySROXMXACMPIVJI-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.86
Rot. Bonds2

About 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63138087) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63138087
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2nccs2)C1
InChIInChI=1S/C11H15N3O3S/c1-11(8(15)16)3-2-5-14(7-11)10(17)13-9-12-4-6-18-9/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,12,13,17)
InChIKeySROXMXACMPIVJI-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 114913385
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
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-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
N-(1,3-thiazol-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47193208
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 63138087) is 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)Nc2nccs2)C1.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is SROXMXACMPIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(8(15)16)3-2-5-14(7-11)10(17)13-9-12-4-6-18-9/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63138087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).