1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid

C15H22N2O4S — CID 122118205

IUPAC1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1sc(=O)n(CCC(=O)N2CC(C)CC(C(=O)O)C2)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-6-12(14(19)20)8-16(7-9)13(18)4-5-17-10(2)11(3)22-15(17)21/h9,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyOUOHYWVBVKTTGT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.49
Rot. Bonds4

About 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid

1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118205) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118205
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1sc(=O)n(CCC(=O)N2CC(C)CC(C(=O)O)C2)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-6-12(14(19)20)8-16(7-9)13(18)4-5-17-10(2)11(3)22-15(17)21/h9,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyOUOHYWVBVKTTGT-UHFFFAOYSA-N
XLogP1.49
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 122118864
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119645145
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84577951
5-methyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 122119448
5-methyl-1-[4-(4-methylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122118846
1-but-3-ynoyl-5-methylpiperidine-3-carboxylic acid
CID 130987653
5-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122117892
1-hex-5-enoyl-5-methylpiperidine-3-carboxylic acid
CID 122117857
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122118851
5-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 122119008
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
CID 119631760

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122118205) is 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid is Cc1sc(=O)n(CCC(=O)N2CC(C)CC(C(=O)O)C2)c1C.
What is the InChIKey of 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is OUOHYWVBVKTTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-9-6-12(14(19)20)8-16(7-9)13(18)4-5-17-10(2)11(3)22-15(17)21/h9,12H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).