tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate

C17H32N2O6 — CID 118190262

IUPACtert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate
SMILESCOCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O6/c1-17(2,3)25-16(21)18-14-5-7-19(8-6-14)15(20)13-24-12-11-23-10-9-22-4/h14H,5-13H2,1-4H3,(H,18,21)
InChIKeyXRCWKXTTWKMAKA-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.18
Rot. Bonds9

About tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate (PubChem CID 118190262) has the molecular formula C17H32N2O6 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate
PubChem CID118190262
Molecular FormulaC17H32N2O6
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC Nametert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate
SMILESCOCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O6/c1-17(2,3)25-16(21)18-14-5-7-19(8-6-14)15(20)13-24-12-11-23-10-9-22-4/h14H,5-13H2,1-4H3,(H,18,21)
InChIKeyXRCWKXTTWKMAKA-UHFFFAOYSA-N
XLogP1.18
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
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 tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate (CID 118190262) is tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate is COCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate?
The InChIKey is XRCWKXTTWKMAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O6/c1-17(2,3)25-16(21)18-14-5-7-19(8-6-14)15(20)13-24-12-11-23-10-9-22-4/h14H,5-13H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118190262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).