tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate

C16H22N2O3 — CID 123848326

IUPACtert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2ccccc2)CNC1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-13-9-12(10-17-14(13)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySPBQQGGDJHHPKN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate

tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate (PubChem CID 123848326) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
PubChem CID123848326
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2ccccc2)CNC1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-13-9-12(10-17-14(13)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySPBQQGGDJHHPKN-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S,5S)-3-amino-1-methyl-5-phenylpiperidin-2-one;tert-butyl N-(1-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate;tert-butyl N-[(3S,5S)-1-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate (CID 123848326) is tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CC(c2ccccc2)CNC1=O.
What is the InChIKey of tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate?
The InChIKey is SPBQQGGDJHHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-13-9-12(10-17-14(13)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate?
tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate is sourced from PubChem (CID 123848326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).