tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate

C19H36N2O6 — CID 135216756

IUPACtert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
SMILESCC(C)(C)OC(=O)COCCCN1CCN(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H36N2O6/c1-18(2,3)26-16(22)14-24-13-7-8-20-9-11-21(12-10-20)25-15-17(23)27-19(4,5)6/h7-15H2,1-6H3
InChIKeyBMLBSBRSIQYEDN-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.63
Rot. Bonds9

About tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate

tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate (PubChem CID 135216756) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
PubChem CID135216756
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC Nametert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
SMILESCC(C)(C)OC(=O)COCCCN1CCN(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H36N2O6/c1-18(2,3)26-16(22)14-24-13-7-8-20-9-11-21(12-10-20)25-15-17(23)27-19(4,5)6/h7-15H2,1-6H3
InChIKeyBMLBSBRSIQYEDN-UHFFFAOYSA-N
XLogP1.63
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
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CID 144664368
tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate
CID 159756048
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
tert-butyl 2-pent-4-enoxyacetate
CID 15072345
tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498
4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 69324402
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
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tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11544628
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate?
The IUPAC name of tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate (CID 135216756) is tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate.
What is the SMILES notation for tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate?
The canonical SMILES for tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate is CC(C)(C)OC(=O)COCCCN1CCN(OCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate?
The InChIKey is BMLBSBRSIQYEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O6/c1-18(2,3)26-16(22)14-24-13-7-8-20-9-11-21(12-10-20)25-15-17(23)27-19(4,5)6/h7-15H2,1-6H3.
What are the key properties of tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate?
tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate has a molecular weight of 388.51 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate is sourced from PubChem (CID 135216756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).