methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate

C14H20N2O4S — CID 61010841

IUPACmethyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(19)16(10)8-12(17)15-6-4-3-5-11(15)7-13(18)20-2/h9,11H,3-8H2,1-2H3
InChIKeyOWIDAOZHBVEDHJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate (PubChem CID 61010841) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate
PubChem CID61010841
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(19)16(10)8-12(17)15-6-4-3-5-11(15)7-13(18)20-2/h9,11H,3-8H2,1-2H3
InChIKeyOWIDAOZHBVEDHJ-UHFFFAOYSA-N
XLogP1.16
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
3-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 86917277
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010949
methyl 2-[(2S)-1-[2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]piperidin-2-yl]acetate
CID 99845526
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296
3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate
CID 61010538
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
4-methyl-3-[3-oxo-3-(2-pyridin-4-ylazepan-1-yl)propyl]-1,3-thiazol-2-one
CID 86998561

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate (CID 61010841) is methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate?
The InChIKey is OWIDAOZHBVEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-21-14(19)16(10)8-12(17)15-6-4-3-5-11(15)7-13(18)20-2/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate has a molecular weight of 312.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61010841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).