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

C16H21NO4 — CID 79835759

IUPACmethyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccccc1OC
InChIInChI=1S/C16H21NO4/c1-20-14-9-4-3-7-12(14)11-15(18)17-10-6-5-8-13(17)16(19)21-2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyNVEPXCQUPZVUCO-CYBMUJFWSA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds4

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

methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate (PubChem CID 79835759) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
PubChem CID79835759
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccccc1OC
InChIInChI=1S/C16H21NO4/c1-20-14-9-4-3-7-12(14)11-15(18)17-10-6-5-8-13(17)16(19)21-2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyNVEPXCQUPZVUCO-CYBMUJFWSA-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

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Related Compounds

(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95281338
methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
CID 61106803
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
1-[2-(2,2-diphenylethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 22909573
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate (CID 79835759) is methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1ccccc1OC.
What is the InChIKey of methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate?
The InChIKey is NVEPXCQUPZVUCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14-9-4-3-7-12(14)11-15(18)17-10-6-5-8-13(17)16(19)21-2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(2-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-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).