methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate

C13H18N2O3S — CID 79833335

IUPACmethyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)7-12(16)15-6-4-3-5-11(15)13(17)18-2/h8,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyXXIRUKDNGMYKMN-LLVKDONJSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds3

About methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate (PubChem CID 79833335) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
PubChem CID79833335
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)7-12(16)15-6-4-3-5-11(15)13(17)18-2/h8,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyXXIRUKDNGMYKMN-LLVKDONJSA-N
XLogP1.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 78915899
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
2-methoxy-N-[2-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]ethyl]acetamide
CID 92631947
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]piperidine-2-carboxylic acid
CID 102553994
(2S)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-2-carboxylic acid
CID 66263006
methyl (2S)-1-[9-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carbonyl]pyrrolidine-2-carboxylate
CID 42166814
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 166391031
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate (CID 79833335) is methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1csc(C)n1.
What is the InChIKey of methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is XXIRUKDNGMYKMN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)7-12(16)15-6-4-3-5-11(15)13(17)18-2/h8,11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).