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

C19H23NO2S — CID 52945836

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccs1
InChIInChI=1S/C19H23NO2S/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyXGTZBGNNSZZVLK-QZTJIDSGSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds5

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

methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate (PubChem CID 52945836) 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-2-ylmethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
PubChem CID52945836
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccs1
InChIInChI=1S/C19H23NO2S/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyXGTZBGNNSZZVLK-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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Related Compounds

methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
CID 52943482
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 71244658
2-acetamidoethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 90368050
propan-2-one;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 158901829
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546734
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate (CID 52945836) is methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccs1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate?
The InChIKey is XGTZBGNNSZZVLK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-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-2-ylmethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52945836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).