tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate

C17H25N3O3 — CID 25324082

IUPACtert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-14-6-4-13(5-7-14)12-15(21)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyKTORFHRWACLQAG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate

tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate (PubChem CID 25324082) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate
PubChem CID25324082
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-14-6-4-13(5-7-14)12-15(21)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyKTORFHRWACLQAG-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate (CID 25324082) is tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCNCC2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate?
The InChIKey is KTORFHRWACLQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-14-6-4-13(5-7-14)12-15(21)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate?
tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate is sourced from PubChem (CID 25324082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).