methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate

C16H23NO3 — CID 52947655

IUPACmethyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1OC)[C@@]1(C)CCCCN1
InChIInChI=1S/C16H23NO3/c1-16(10-6-7-11-17-16)14(15(18)20-3)12-8-4-5-9-13(12)19-2/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyGRAQQBGRYNWPQA-GOEBONIOSA-N
MW277.36 g/mol
LogP2.48
Rot. Bonds4

About methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate

methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate (PubChem CID 52947655) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate
PubChem CID52947655
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1OC)[C@@]1(C)CCCCN1
InChIInChI=1S/C16H23NO3/c1-16(10-6-7-11-17-16)14(15(18)20-3)12-8-4-5-9-13(12)19-2/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyGRAQQBGRYNWPQA-GOEBONIOSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate (CID 52947655) is methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1OC)[C@@]1(C)CCCCN1.
What is the InChIKey of methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate?
The InChIKey is GRAQQBGRYNWPQA-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(10-6-7-11-17-16)14(15(18)20-3)12-8-4-5-9-13(12)19-2/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate?
methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 52947655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).