tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate

C16H30N2O5 — CID 18925471

IUPACtert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
SMILESCOCCNCC(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)12-22-13-5-8-18(9-6-13)14(19)11-17-7-10-21-4/h13,17H,5-12H2,1-4H3
InChIKeyNDIQTIDZLJKIOD-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.57
Rot. Bonds8

About tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate

tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate (PubChem CID 18925471) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
PubChem CID18925471
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
SMILESCOCCNCC(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)12-22-13-5-8-18(9-6-13)14(19)11-17-7-10-21-4/h13,17H,5-12H2,1-4H3
InChIKeyNDIQTIDZLJKIOD-UHFFFAOYSA-N
XLogP0.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.57
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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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
CID 119750507
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
CID 18335648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate (CID 18925471) is tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate is COCCNCC(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate?
The InChIKey is NDIQTIDZLJKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)12-22-13-5-8-18(9-6-13)14(19)11-17-7-10-21-4/h13,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate?
tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate has a molecular weight of 330.43 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 18925471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).