tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate

C17H30N2O4 — CID 54262249

IUPACtert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-15(20)12-22-13-7-10-19(11-8-13)16(21)14-6-4-5-9-18-14/h13-14,18H,4-12H2,1-3H3
InChIKeyREHZRRFGOGVIAQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.48
Rot. Bonds4

About tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate

tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate (PubChem CID 54262249) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate
PubChem CID54262249
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-15(20)12-22-13-7-10-19(11-8-13)16(21)14-6-4-5-9-18-14/h13-14,18H,4-12H2,1-3H3
InChIKeyREHZRRFGOGVIAQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate (CID 54262249) is tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate is CC(C)(C)OC(=O)COC1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate?
The InChIKey is REHZRRFGOGVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-15(20)12-22-13-7-10-19(11-8-13)16(21)14-6-4-5-9-18-14/h13-14,18H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate?
tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate has a molecular weight of 326.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetate is sourced from PubChem (CID 54262249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).