methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate

C22H25NO4 — CID 8922558

IUPACmethyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-26-22(25)18-11-13-23(14-12-18)21(24)16-27-20-10-6-5-9-19(20)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyQSORYGCJRAEUTI-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.07
Rot. Bonds6

About methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate

methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 8922558) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID8922558
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Namemethyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-26-22(25)18-11-13-23(14-12-18)21(24)16-27-20-10-6-5-9-19(20)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyQSORYGCJRAEUTI-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
2-(2-benzylphenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 17430734
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
methyl 2-(2-benzylphenoxy)acetate
CID 43237517

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate (CID 8922558) is methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is QSORYGCJRAEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-22(25)18-11-13-23(14-12-18)21(24)16-27-20-10-6-5-9-19(20)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3.
What are the key properties of methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 367.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 8922558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).