tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate

C16H21FN2O3 — CID 66859411

IUPACtert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)18-19-13(5-4-6-14(19)20)11-7-9-12(17)10-8-11/h7-10,13H,4-6H2,1-3H3,(H,18,21)
InChIKeyIUSAYUSMKFAXKR-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate

tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate (PubChem CID 66859411) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate
PubChem CID66859411
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)18-19-13(5-4-6-14(19)20)11-7-9-12(17)10-8-11/h7-10,13H,4-6H2,1-3H3,(H,18,21)
InChIKeyIUSAYUSMKFAXKR-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate (CID 66859411) is tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate is CC(C)(C)OC(=O)NN1C(=O)CCCC1c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate?
The InChIKey is IUSAYUSMKFAXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)18-19-13(5-4-6-14(19)20)11-7-9-12(17)10-8-11/h7-10,13H,4-6H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate?
tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate has a molecular weight of 308.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluorophenyl)-6-oxopiperidin-1-yl]carbamate is sourced from PubChem (CID 66859411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).