diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate

C19H33NO6 — CID 57178822

IUPACdiethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate
SMILESCCOC(=O)C(CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H33NO6/c1-6-24-16(21)15(17(22)25-7-2)12-11-14-10-8-9-13-20(14)18(23)26-19(3,4)5/h14-15H,6-13H2,1-5H3
InChIKeyYMKGNGLKLPNABF-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.30
Rot. Bonds7

About diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate

diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate (PubChem CID 57178822) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate
PubChem CID57178822
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Namediethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate
SMILESCCOC(=O)C(CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H33NO6/c1-6-24-16(21)15(17(22)25-7-2)12-11-14-10-8-9-13-20(14)18(23)26-19(3,4)5/h14-15H,6-13H2,1-5H3
InChIKeyYMKGNGLKLPNABF-UHFFFAOYSA-N
XLogP3.30
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate?
The IUPAC name of diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate (CID 57178822) is diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate is CCOC(=O)C(CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate?
The InChIKey is YMKGNGLKLPNABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-6-24-16(21)15(17(22)25-7-2)12-11-14-10-8-9-13-20(14)18(23)26-19(3,4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate?
diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate has a molecular weight of 371.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate is sourced from PubChem (CID 57178822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).