methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate

C15H24N2O3S — CID 75431209

IUPACmethyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(O)C1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O3S/c1-10(2)14-16-12(9-21-14)8-17-6-4-11(5-7-17)13(18)15(19)20-3/h9-11,13,18H,4-8H2,1-3H3
InChIKeyJQLKMNCZMXKAGM-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.01
Rot. Bonds5

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

methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate (PubChem CID 75431209) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
PubChem CID75431209
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(O)C1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O3S/c1-10(2)14-16-12(9-21-14)8-17-6-4-11(5-7-17)13(18)15(19)20-3/h9-11,13,18H,4-8H2,1-3H3
InChIKeyJQLKMNCZMXKAGM-UHFFFAOYSA-N
XLogP2.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
methyl (2R)-2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238863
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905100
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
CID 71970330
3-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 61487318
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate (CID 75431209) is methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate is COC(=O)C(O)C1CCN(Cc2csc(C(C)C)n2)CC1.
What is the InChIKey of methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate?
The InChIKey is JQLKMNCZMXKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10(2)14-16-12(9-21-14)8-17-6-4-11(5-7-17)13(18)15(19)20-3/h9-11,13,18H,4-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate?
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate has a molecular weight of 312.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 75431209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).