2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid

C21H34N4O7 — CID 169213763

IUPAC2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid
SMILESNCCOCCOCCOCCN(C(=O)C1CCCNC1)c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C21H34N4O7/c22-5-8-30-10-12-32-13-11-31-9-7-25(21(29)17-2-1-6-23-14-17)18-3-4-19(26)24(15-18)16-20(27)28/h3-4,15,17,23H,1-2,5-14,16,22H2,(H,27,28)
InChIKeyLOPXFDMRSIKKBJ-UHFFFAOYSA-N
MW454.52 g/mol
LogP-0.73
Rot. Bonds15

About 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid

2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 169213763) has the molecular formula C21H34N4O7 and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID169213763
Molecular FormulaC21H34N4O7
Molecular Weight454.52 g/mol
Exact Mass454.24
IUPAC Name2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid
SMILESNCCOCCOCCOCCN(C(=O)C1CCCNC1)c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C21H34N4O7/c22-5-8-30-10-12-32-13-11-31-9-7-25(21(29)17-2-1-6-23-14-17)18-3-4-19(26)24(15-18)16-20(27)28/h3-4,15,17,23H,1-2,5-14,16,22H2,(H,27,28)
InChIKeyLOPXFDMRSIKKBJ-UHFFFAOYSA-N
XLogP-0.73
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid (CID 169213763) is 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid is NCCOCCOCCOCCN(C(=O)C1CCCNC1)c1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is LOPXFDMRSIKKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O7/c22-5-8-30-10-12-32-13-11-31-9-7-25(21(29)17-2-1-6-23-14-17)18-3-4-19(26)24(15-18)16-20(27)28/h3-4,15,17,23H,1-2,5-14,16,22H2,(H,27,28).
What are the key properties of 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 454.52 g/mol, XLogP of -0.73, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 169213763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).