methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate

C17H26N2O3S — CID 124874314

IUPACmethyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@H](c1ccsc1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H26N2O3S/c1-21-17(20)16(14-5-11-23-13-14)19-6-3-2-4-15(19)12-18-7-9-22-10-8-18/h5,11,13,15-16H,2-4,6-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyBJPRTZVZIAVYKD-CVEARBPZSA-N
MW338.47 g/mol
LogP2.15
Rot. Bonds5

About methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate

methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate (PubChem CID 124874314) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate
PubChem CID124874314
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Namemethyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@H](c1ccsc1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H26N2O3S/c1-21-17(20)16(14-5-11-23-13-14)19-6-3-2-4-15(19)12-18-7-9-22-10-8-18/h5,11,13,15-16H,2-4,6-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyBJPRTZVZIAVYKD-CVEARBPZSA-N
XLogP2.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate (CID 124874314) is methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate is COC(=O)[C@H](c1ccsc1)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate?
The InChIKey is BJPRTZVZIAVYKD-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-21-17(20)16(14-5-11-23-13-14)19-6-3-2-4-15(19)12-18-7-9-22-10-8-18/h5,11,13,15-16H,2-4,6-10,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate?
methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate has a molecular weight of 338.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate is sourced from PubChem (CID 124874314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).