(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate

C14H22N2O2S — CID 174960696

IUPAC(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)13(17)18-9-11-8-16-12(19-11)10-4-6-15-7-5-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyMJMXBWHJOKODII-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.70
Rot. Bonds3

About (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate

(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate (PubChem CID 174960696) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
PubChem CID174960696
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)13(17)18-9-11-8-16-12(19-11)10-4-6-15-7-5-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyMJMXBWHJOKODII-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate hydrochloride
CID 126820113
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679270
[2-(4-Fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
CID 175265106
5-(Methoxymethyl)-2-piperidin-4-yl-1,3-thiazole
CID 58746977
Methyl 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679265
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
CID 67394505
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506
Ethyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 86701983
2-methyl-5-[[(3S)-piperidin-3-yl]methoxymethyl]-1,3-thiazole;hydrochloride
CID 140121435
(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
CID 142817848
(2-Tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
CID 153457069
Ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate
CID 155424080

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate (CID 174960696) is (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cnc(C2CCNCC2)s1.
What is the InChIKey of (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is MJMXBWHJOKODII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)13(17)18-9-11-8-16-12(19-11)10-4-6-15-7-5-10/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
(2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 282.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174960696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).