tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate

C18H25FN4O3 — CID 20785658

IUPACtert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNC3=O)cc2F)CC1
InChIInChI=1S/C18H25FN4O3/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)15-5-4-13(12-14(15)19)23-7-6-20-16(23)24/h4-5,12H,6-11H2,1-3H3,(H,20,24)
InChIKeyXWWGUHXARQGYNX-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.41
Rot. Bonds2

About tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate

tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate (PubChem CID 20785658) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate
PubChem CID20785658
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Nametert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNC3=O)cc2F)CC1
InChIInChI=1S/C18H25FN4O3/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)15-5-4-13(12-14(15)19)23-7-6-20-16(23)24/h4-5,12H,6-11H2,1-3H3,(H,20,24)
InChIKeyXWWGUHXARQGYNX-UHFFFAOYSA-N
XLogP2.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate (CID 20785658) is tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNC3=O)cc2F)CC1.
What is the InChIKey of tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate?
The InChIKey is XWWGUHXARQGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)15-5-4-13(12-14(15)19)23-7-6-20-16(23)24/h4-5,12H,6-11H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 20785658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).