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

C16H21FN2O3 — CID 66859412

IUPACtert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(F)cc1)N1CCCCC1=O
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19(13-9-7-12(17)8-10-13)18-11-5-4-6-14(18)20/h7-10H,4-6,11H2,1-3H3
InChIKeyDOGFWZULNNDBID-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.49
Rot. Bonds2

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

tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate (PubChem CID 66859412) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate
PubChem CID66859412
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(F)cc1)N1CCCCC1=O
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19(13-9-7-12(17)8-10-13)18-11-5-4-6-14(18)20/h7-10H,4-6,11H2,1-3H3
InChIKeyDOGFWZULNNDBID-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate (CID 66859412) is tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate is CC(C)(C)OC(=O)N(c1ccc(F)cc1)N1CCCCC1=O.
What is the InChIKey of tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate?
The InChIKey is DOGFWZULNNDBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19(13-9-7-12(17)8-10-13)18-11-5-4-6-14(18)20/h7-10H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate?
tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate has a molecular weight of 308.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluorophenyl)-N-(2-oxopiperidin-1-yl)carbamate is sourced from PubChem (CID 66859412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).