2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid

C13H24N2O6 — CID 63876279

IUPAC2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCOCCOCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O6/c1-19-8-9-20-7-4-14-13(18)15-5-2-11(3-6-15)21-10-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyNFGFQUIKXJGJGX-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.08
Rot. Bonds9

About 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63876279) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63876279
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCOCCOCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O6/c1-19-8-9-20-7-4-14-13(18)15-5-2-11(3-6-15)21-10-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyNFGFQUIKXJGJGX-UHFFFAOYSA-N
XLogP-0.08
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79457260
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63876279) is 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid is COCCOCCNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is NFGFQUIKXJGJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-19-8-9-20-7-4-14-13(18)15-5-2-11(3-6-15)21-10-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 304.34 g/mol, XLogP of -0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).