[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

C18H24N2O5 — CID 9492469

IUPAC[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C18H24N2O5/c1-12-6-7-14(9-13(12)2)24-11-17(22)25-10-16(21)20-8-4-3-5-15(20)18(19)23/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeyAHJRFINJHIKJPM-HNNXBMFYSA-N
MW348.40 g/mol
LogP1.09
Rot. Bonds6

About [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 9492469) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID9492469
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C18H24N2O5/c1-12-6-7-14(9-13(12)2)24-11-17(22)25-10-16(21)20-8-4-3-5-15(20)18(19)23/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeyAHJRFINJHIKJPM-HNNXBMFYSA-N
XLogP1.09
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate with MolForge

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Related Compounds

1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,4-dimethylphenoxy)acetate
CID 23905536
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492463
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809019
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 56807362
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
CID 52811665
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200420
methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
CID 55915477
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (CID 9492469) is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1C.
What is the InChIKey of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is AHJRFINJHIKJPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12-6-7-14(9-13(12)2)24-11-17(22)25-10-16(21)20-8-4-3-5-15(20)18(19)23/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H2,19,23)/t15-/m0/s1.
What are the key properties of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 348.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 9492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).