methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate

C15H21NO3 — CID 10659215

IUPACmethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyFCAMCDYOMMHOJE-KBPBESRZSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds4

About methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate

methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate (PubChem CID 10659215) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate
PubChem CID10659215
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyFCAMCDYOMMHOJE-KBPBESRZSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-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

Related Compounds

2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
(2S)-2-azaniumyl-3-(4-methoxyphenyl)propanoate
CID 6950203
Deesterified lactam
CID 12858703
(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
CID 52942312
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 4590252
3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
CID 2885930
3-(4-methoxyphenyl)-N-(propan-2-yl)propanamide
CID 897290
Methyl 4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 2841264
(R)-(4-Methoxy-phenyl)-(R)-piperidin-2-yl-acetic acid methyl ester
CID 10587632

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate (CID 10659215) is methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate is COC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The InChIKey is FCAMCDYOMMHOJE-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate?
methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate is sourced from PubChem (CID 10659215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).