N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

C20H39N3O5 — CID 10179195

IUPACN-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCCN
InChIInChI=1S/C20H39N3O5/c1-26-13-14-27-15-16-28-17-19(24)23-12-8-5-9-18(23)20(25)22-11-7-4-2-3-6-10-21/h18H,2-17,21H2,1H3,(H,22,25)
InChIKeyUBUUHFNEAMPFRM-UHFFFAOYSA-N
MW401.55 g/mol
LogP1.07
Rot. Bonds16

About N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide

N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (PubChem CID 10179195) has the molecular formula C20H39N3O5 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
PubChem CID10179195
Molecular FormulaC20H39N3O5
Molecular Weight401.55 g/mol
Exact Mass401.29
IUPAC NameN-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCCN
InChIInChI=1S/C20H39N3O5/c1-26-13-14-27-15-16-28-17-19(24)23-12-8-5-9-18(23)20(25)22-11-7-4-2-3-6-10-21/h18H,2-17,21H2,1H3,(H,22,25)
InChIKeyUBUUHFNEAMPFRM-UHFFFAOYSA-N
XLogP1.07
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.07
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-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide (CID 10179195) is N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is COCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCCCN.
What is the InChIKey of N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
The InChIKey is UBUUHFNEAMPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O5/c1-26-13-14-27-15-16-28-17-19(24)23-12-8-5-9-18(23)20(25)22-11-7-4-2-3-6-10-21/h18H,2-17,21H2,1H3,(H,22,25).
What are the key properties of N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide?
N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 1.07, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 10179195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).