tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate

C20H32N2O3 — CID 171648314

IUPACtert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate
SMILESCCc1cc(C2CCCN(CCC(=O)OC(C)(C)C)C2)cnc1OC
InChIInChI=1S/C20H32N2O3/c1-6-15-12-17(13-21-19(15)24-5)16-8-7-10-22(14-16)11-9-18(23)25-20(2,3)4/h12-13,16H,6-11,14H2,1-5H3
InChIKeyGVQQONQDMHEOHR-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate

tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate (PubChem CID 171648314) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate
PubChem CID171648314
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate
SMILESCCc1cc(C2CCCN(CCC(=O)OC(C)(C)C)C2)cnc1OC
InChIInChI=1S/C20H32N2O3/c1-6-15-12-17(13-21-19(15)24-5)16-8-7-10-22(14-16)11-9-18(23)25-20(2,3)4/h12-13,16H,6-11,14H2,1-5H3
InChIKeyGVQQONQDMHEOHR-UHFFFAOYSA-N
XLogP3.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate (CID 171648314) is tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate is CCc1cc(C2CCCN(CCC(=O)OC(C)(C)C)C2)cnc1OC.
What is the InChIKey of tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate?
The InChIKey is GVQQONQDMHEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-6-15-12-17(13-21-19(15)24-5)16-8-7-10-22(14-16)11-9-18(23)25-20(2,3)4/h12-13,16H,6-11,14H2,1-5H3.
What are the key properties of tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate?
tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate has a molecular weight of 348.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(5-ethyl-6-methoxy-3-pyridinyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 171648314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).