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

C14H20N2O3S — CID 43404231

IUPACethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)11-4-6-16(7-5-11)13(17)8-12-9-20-10(2)15-12/h9,11H,3-8H2,1-2H3
InChIKeyATZSZHBZLHHIIN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.80
Rot. Bonds4

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

ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43404231) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate
PubChem CID43404231
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)11-4-6-16(7-5-11)13(17)8-12-9-20-10(2)15-12/h9,11H,3-8H2,1-2H3
InChIKeyATZSZHBZLHHIIN-UHFFFAOYSA-N
XLogP1.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-(2-methoxyethyl)-4-piperidinecarboxylate
CID 16187624
Ethyl 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 51078856
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
4-[[[2-(2-Ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56798712
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
2-(3-Methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72886342
Ethyl 4-(4-((4-(tert-butyl)thiazol-2-yl)methyl)piperazin-1-yl)-4-oxobutanoate
CID 30860465
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidino]-1-propanone
CID 53016834
Cyclopropyl[4-(4-ethyl-1,3-thiazol-2-yl)piperidino]methanone
CID 53016841
1-Morpholin-4-yl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 45819394
Ethyl 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 53519898

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate (CID 43404231) is ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2csc(C)n2)CC1.
What is the InChIKey of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is ATZSZHBZLHHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-14(18)11-4-6-16(7-5-11)13(17)8-12-9-20-10(2)15-12/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43404231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).