2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide

C17H33N3O6 — CID 177054730

IUPAC2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(OCCOCC(=O)NCCOCCOC)CC1
InChIInChI=1S/C17H33N3O6/c1-18-16(21)13-20-6-3-15(4-7-20)26-12-11-25-14-17(22)19-5-8-24-10-9-23-2/h15H,3-14H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQAXXWWGJFFRSDH-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.99
Rot. Bonds14

About 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide

2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide (PubChem CID 177054730) has the molecular formula C17H33N3O6 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide
PubChem CID177054730
Molecular FormulaC17H33N3O6
Molecular Weight375.47 g/mol
Exact Mass375.24
IUPAC Name2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(OCCOCC(=O)NCCOCCOC)CC1
InChIInChI=1S/C17H33N3O6/c1-18-16(21)13-20-6-3-15(4-7-20)26-12-11-25-14-17(22)19-5-8-24-10-9-23-2/h15H,3-14H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQAXXWWGJFFRSDH-UHFFFAOYSA-N
XLogP-0.99
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 177056741
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-2-[2-[4-oxo-5-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentoxy]ethoxy]acetamide
CID 158842162
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide (CID 177054730) is 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(OCCOCC(=O)NCCOCCOC)CC1.
What is the InChIKey of 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide?
The InChIKey is QAXXWWGJFFRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O6/c1-18-16(21)13-20-6-3-15(4-7-20)26-12-11-25-14-17(22)19-5-8-24-10-9-23-2/h15H,3-14H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide?
2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide has a molecular weight of 375.47 g/mol, XLogP of -0.99, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 177054730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).