tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

C25H36FN3O5 — CID 70074239

IUPACtert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)CCc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c(F)c1
InChIInChI=1S/C25H36FN3O5/c1-25(2,3)34-24(32)28-13-10-18(11-14-28)9-12-27-15-16-29(23(27)31)21-7-5-19(17-20(21)26)6-8-22(30)33-4/h5,7,17-18H,6,8-16H2,1-4H3
InChIKeyGQMSASNKLIUYFU-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.21
Rot. Bonds7

About tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 70074239) has the molecular formula C25H36FN3O5 and a molecular weight of 477.58 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID70074239
Molecular FormulaC25H36FN3O5
Molecular Weight477.58 g/mol
Exact Mass477.26
IUPAC Nametert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)CCc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c(F)c1
InChIInChI=1S/C25H36FN3O5/c1-25(2,3)34-24(32)28-13-10-18(11-14-28)9-12-27-15-16-29(23(27)31)21-7-5-19(17-20(21)26)6-8-22(30)33-4/h5,7,17-18H,6,8-16H2,1-4H3
InChIKeyGQMSASNKLIUYFU-UHFFFAOYSA-N
XLogP4.21
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (CID 70074239) is tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is COC(=O)CCc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c(F)c1.
What is the InChIKey of tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is GQMSASNKLIUYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O5/c1-25(2,3)34-24(32)28-13-10-18(11-14-28)9-12-27-15-16-29(23(27)31)21-7-5-19(17-20(21)26)6-8-22(30)33-4/h5,7,17-18H,6,8-16H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 477.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-[2-fluoro-4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 70074239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).