tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate

C19H28N2O3 — CID 90767678

IUPACtert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)16(15-11-7-5-8-12-15)17(22)21-13-9-6-10-14-21/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3
InChIKeyXFKRUHLWBDKCTH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate

tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate (PubChem CID 90767678) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate
PubChem CID90767678
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)16(15-11-7-5-8-12-15)17(22)21-13-9-6-10-14-21/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3
InChIKeyXFKRUHLWBDKCTH-UHFFFAOYSA-N
XLogP3.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate (CID 90767678) is tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate is CN(C(=O)OC(C)(C)C)C(C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate?
The InChIKey is XFKRUHLWBDKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)16(15-11-7-5-8-12-15)17(22)21-13-9-6-10-14-21/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate?
tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 90767678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).