1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid

C14H25NO6 — CID 103400775

IUPAC1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
SMILESCOCCOCCCOCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-19-9-10-20-7-2-8-21-11-13(16)15-5-3-12(4-6-15)14(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyOJGRKSMTLCFJAF-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.38
Rot. Bonds10

About 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid

1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid (PubChem CID 103400775) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
PubChem CID103400775
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
SMILESCOCCOCCCOCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-19-9-10-20-7-2-8-21-11-13(16)15-5-3-12(4-6-15)14(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyOJGRKSMTLCFJAF-UHFFFAOYSA-N
XLogP0.38
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid (CID 103400775) is 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid is COCCOCCCOCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid?
The InChIKey is OJGRKSMTLCFJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-19-9-10-20-7-2-8-21-11-13(16)15-5-3-12(4-6-15)14(17)18/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid?
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 0.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103400775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).