tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate

C22H36FN3O2 — CID 143612190

IUPACtert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate
SMILESCCCN(CCc1ccc(N2CCC(F)CC2)nc1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H36FN3O2/c1-6-13-26(21(27)28-22(3,4)5)14-10-17-8-9-20(24-19(17)7-2)25-15-11-18(23)12-16-25/h8-9,18H,6-7,10-16H2,1-5H3
InChIKeyLGYJMETYLRAEQO-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.77
Rot. Bonds7

About tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate

tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate (PubChem CID 143612190) has the molecular formula C22H36FN3O2 and a molecular weight of 393.55 g/mol. Its IUPAC name is tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate
PubChem CID143612190
Molecular FormulaC22H36FN3O2
Molecular Weight393.55 g/mol
Exact Mass393.28
IUPAC Nametert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate
SMILESCCCN(CCc1ccc(N2CCC(F)CC2)nc1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H36FN3O2/c1-6-13-26(21(27)28-22(3,4)5)14-10-17-8-9-20(24-19(17)7-2)25-15-11-18(23)12-16-25/h8-9,18H,6-7,10-16H2,1-5H3
InChIKeyLGYJMETYLRAEQO-UHFFFAOYSA-N
XLogP4.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate (CID 143612190) is tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate is CCCN(CCc1ccc(N2CCC(F)CC2)nc1CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate?
The InChIKey is LGYJMETYLRAEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36FN3O2/c1-6-13-26(21(27)28-22(3,4)5)14-10-17-8-9-20(24-19(17)7-2)25-15-11-18(23)12-16-25/h8-9,18H,6-7,10-16H2,1-5H3.
What are the key properties of tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate has a molecular weight of 393.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-ethyl-6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethyl]-N-propylcarbamate is sourced from PubChem (CID 143612190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).