methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate

C16H21NO4 — CID 79835955

IUPACmethyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H21NO4/c1-20-13-7-5-6-12(10-13)11-15(18)17-9-4-3-8-14(17)16(19)21-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyXZOBAVADZXTAQB-CQSZACIVSA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds4

About methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate (PubChem CID 79835955) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
PubChem CID79835955
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H21NO4/c1-20-13-7-5-6-12(10-13)11-15(18)17-9-4-3-8-14(17)16(19)21-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyXZOBAVADZXTAQB-CQSZACIVSA-N
XLogP1.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate 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)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate (CID 79835955) is methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(OC)c1.
What is the InChIKey of methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The InChIKey is XZOBAVADZXTAQB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-13-7-5-6-12(10-13)11-15(18)17-9-4-3-8-14(17)16(19)21-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).