ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate

C18H34N2O6 — CID 156865678

IUPACethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O6/c1-5-25-16(21)14-24-13-12-23-11-10-20-8-6-15(7-9-20)19-17(22)26-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,22)
InChIKeyIDWBPIBZLVWMRC-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.57
Rot. Bonds10

About ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate

ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate (PubChem CID 156865678) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate
PubChem CID156865678
Molecular FormulaC18H34N2O6
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Nameethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O6/c1-5-25-16(21)14-24-13-12-23-11-10-20-8-6-15(7-9-20)19-17(22)26-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,22)
InChIKeyIDWBPIBZLVWMRC-UHFFFAOYSA-N
XLogP1.57
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate (CID 156865678) is ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate is CCOC(=O)COCCOCCN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate?
The InChIKey is IDWBPIBZLVWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6/c1-5-25-16(21)14-24-13-12-23-11-10-20-8-6-15(7-9-20)19-17(22)26-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,22).
What are the key properties of ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate?
ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate has a molecular weight of 374.48 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetate is sourced from PubChem (CID 156865678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).