tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate

C22H33FN2O3 — CID 166132813

IUPACtert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(F)cc(C(C)(C=O)N2CCCCC2)c1C
InChIInChI=1S/C22H33FN2O3/c1-7-25(20(27)28-21(3,4)5)19-14-17(23)13-18(16(19)2)22(6,15-26)24-11-9-8-10-12-24/h13-15H,7-12H2,1-6H3
InChIKeyTZFMEYTXSJAVNX-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.80
Rot. Bonds5

About tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate

tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate (PubChem CID 166132813) has the molecular formula C22H33FN2O3 and a molecular weight of 392.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate
PubChem CID166132813
Molecular FormulaC22H33FN2O3
Molecular Weight392.52 g/mol
Exact Mass392.25
IUPAC Nametert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(F)cc(C(C)(C=O)N2CCCCC2)c1C
InChIInChI=1S/C22H33FN2O3/c1-7-25(20(27)28-21(3,4)5)19-14-17(23)13-18(16(19)2)22(6,15-26)24-11-9-8-10-12-24/h13-15H,7-12H2,1-6H3
InChIKeyTZFMEYTXSJAVNX-UHFFFAOYSA-N
XLogP4.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate (CID 166132813) is tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate is CCN(C(=O)OC(C)(C)C)c1cc(F)cc(C(C)(C=O)N2CCCCC2)c1C.
What is the InChIKey of tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate?
The InChIKey is TZFMEYTXSJAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O3/c1-7-25(20(27)28-21(3,4)5)19-14-17(23)13-18(16(19)2)22(6,15-26)24-11-9-8-10-12-24/h13-15H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate?
tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate has a molecular weight of 392.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[5-fluoro-2-methyl-3-(1-oxo-2-piperidin-1-ylpropan-2-yl)phenyl]carbamate is sourced from PubChem (CID 166132813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).