tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate

C17H26FN3O3 — CID 137450509

IUPACtert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C17H26FN3O3/c1-17(2,3)24-16(23)19-14-5-4-9-21(15(14)22)13-6-10-20(11-7-13)12-8-18/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,19,23)
InChIKeyFKNOGLQWSIGJCB-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450509) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450509
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Nametert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C17H26FN3O3/c1-17(2,3)24-16(23)19-14-5-4-9-21(15(14)22)13-6-10-20(11-7-13)12-8-18/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,19,23)
InChIKeyFKNOGLQWSIGJCB-UHFFFAOYSA-N
XLogP2.80
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate (CID 137450509) is tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CCN(CCF)CC2)c1=O.
What is the InChIKey of tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is FKNOGLQWSIGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-17(2,3)24-16(23)19-14-5-4-9-21(15(14)22)13-6-10-20(11-7-13)12-8-18/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,19,23).
What are the key properties of tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 339.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).