N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

C19H37N3O5 — CID 10293594

IUPACN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-4-8-17(22)19(24)21-10-6-3-2-5-9-20/h17H,2-16,20H2,1H3,(H,21,24)
InChIKeyBGGLRRAKQCLKID-UHFFFAOYSA-N
MW387.52 g/mol
LogP0.68
Rot. Bonds15

About N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (PubChem CID 10293594) has the molecular formula C19H37N3O5 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
PubChem CID10293594
Molecular FormulaC19H37N3O5
Molecular Weight387.52 g/mol
Exact Mass387.27
IUPAC NameN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-4-8-17(22)19(24)21-10-6-3-2-5-9-20/h17H,2-16,20H2,1H3,(H,21,24)
InChIKeyBGGLRRAKQCLKID-UHFFFAOYSA-N
XLogP0.68
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (CID 10293594) is N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is COCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The InChIKey is BGGLRRAKQCLKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-4-8-17(22)19(24)21-10-6-3-2-5-9-20/h17H,2-16,20H2,1H3,(H,21,24).
What are the key properties of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 0.68, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 10293594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).