tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

C25H42N4O6 — CID 70075049

IUPACtert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1
InChIInChI=1S/C25H42N4O6/c1-5-34-22(31)20-9-14-26(15-10-20)21(30)18-29-17-16-27(23(29)32)11-6-19-7-12-28(13-8-19)24(33)35-25(2,3)4/h19-20H,5-18H2,1-4H3
InChIKeyFECIRDJTOXCFDC-UHFFFAOYSA-N
MW494.63 g/mol
LogP2.56
Rot. Bonds7

About tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 70075049) has the molecular formula C25H42N4O6 and a molecular weight of 494.63 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID70075049
Molecular FormulaC25H42N4O6
Molecular Weight494.63 g/mol
Exact Mass494.31
IUPAC Nametert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1
InChIInChI=1S/C25H42N4O6/c1-5-34-22(31)20-9-14-26(15-10-20)21(30)18-29-17-16-27(23(29)32)11-6-19-7-12-28(13-8-19)24(33)35-25(2,3)4/h19-20H,5-18H2,1-4H3
InChIKeyFECIRDJTOXCFDC-UHFFFAOYSA-N
XLogP2.56
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (CID 70075049) is tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is FECIRDJTOXCFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O6/c1-5-34-22(31)20-9-14-26(15-10-20)21(30)18-29-17-16-27(23(29)32)11-6-19-7-12-28(13-8-19)24(33)35-25(2,3)4/h19-20H,5-18H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 494.63 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 70075049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).