N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

C19H37N3O7 — CID 10180374

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C19H37N3O7/c1-25-10-11-28-14-15-29-16-18(23)22-7-3-2-4-17(22)19(24)21-6-9-27-13-12-26-8-5-20/h17H,2-16,20H2,1H3,(H,21,24)
InChIKeyQYMMNEKZPHFVQB-UHFFFAOYSA-N
MW419.52 g/mol
LogP-0.84
Rot. Bonds17

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (PubChem CID 10180374) has the molecular formula C19H37N3O7 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
PubChem CID10180374
Molecular FormulaC19H37N3O7
Molecular Weight419.52 g/mol
Exact Mass419.26
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C19H37N3O7/c1-25-10-11-28-14-15-29-16-18(23)22-7-3-2-4-17(22)19(24)21-6-9-27-13-12-26-8-5-20/h17H,2-16,20H2,1H3,(H,21,24)
InChIKeyQYMMNEKZPHFVQB-UHFFFAOYSA-N
XLogP-0.84
TPSA121.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (CID 10180374) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is COCCOCCOCC(=O)N1CCCCC1C(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The InChIKey is QYMMNEKZPHFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O7/c1-25-10-11-28-14-15-29-16-18(23)22-7-3-2-4-17(22)19(24)21-6-9-27-13-12-26-8-5-20/h17H,2-16,20H2,1H3,(H,21,24).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide has a molecular weight of 419.52 g/mol, XLogP of -0.84, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 10180374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).