methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate

C19H23NO2S — CID 52947084

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccsc1
InChIInChI=1S/C19H23NO2S/c1-22-19(21)18(16-7-3-2-4-8-16)17-9-5-6-11-20(17)13-15-10-12-23-14-15/h2-4,7-8,10,12,14,17-18H,5-6,9,11,13H2,1H3/t17-,18-/m1/s1
InChIKeyLNROKOGUORZBBV-QZTJIDSGSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds5

About methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate (PubChem CID 52947084) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate
PubChem CID52947084
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccsc1
InChIInChI=1S/C19H23NO2S/c1-22-19(21)18(16-7-3-2-4-8-16)17-9-5-6-11-20(17)13-15-10-12-23-14-15/h2-4,7-8,10,12,14,17-18H,5-6,9,11,13H2,1H3/t17-,18-/m1/s1
InChIKeyLNROKOGUORZBBV-QZTJIDSGSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate (CID 52947084) is methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccsc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate?
The InChIKey is LNROKOGUORZBBV-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-22-19(21)18(16-7-3-2-4-8-16)17-9-5-6-11-20(17)13-15-10-12-23-14-15/h2-4,7-8,10,12,14,17-18H,5-6,9,11,13H2,1H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate has a molecular weight of 329.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52947084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).