(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate

C17H23NO4 — CID 2641999

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-14-5-7-15(8-6-14)21-12-9-17(20)22-13-16(19)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3
InChIKeyPJLVOQSMTVIWFT-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.32
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate

(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate (PubChem CID 2641999) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate
PubChem CID2641999
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-14-5-7-15(8-6-14)21-12-9-17(20)22-13-16(19)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3
InChIKeyPJLVOQSMTVIWFT-UHFFFAOYSA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate with MolForge

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Related Compounds

[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 24687153
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139605
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-phenoxypropanoate
CID 7841528
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,4-dimethylphenoxy)acetate
CID 23905536
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 24981528

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate (CID 2641999) is (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate?
The InChIKey is PJLVOQSMTVIWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-14-5-7-15(8-6-14)21-12-9-17(20)22-13-16(19)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate?
(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 2641999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).