tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate

C17H30N4O4 — CID 17393059

IUPACtert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)CC1NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H30N4O4/c1-12(2)10-13-14(22)21(15(23)18-13)11-19-6-8-20(9-7-19)16(24)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,23)
InChIKeyWFDCKCJCQVBBTE-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.46
Rot. Bonds4

About tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate (PubChem CID 17393059) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
PubChem CID17393059
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Nametert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)CC1NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H30N4O4/c1-12(2)10-13-14(22)21(15(23)18-13)11-19-6-8-20(9-7-19)16(24)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,23)
InChIKeyWFDCKCJCQVBBTE-UHFFFAOYSA-N
XLogP1.46
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate (CID 17393059) is tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate is CC(C)CC1NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The InChIKey is WFDCKCJCQVBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-12(2)10-13-14(22)21(15(23)18-13)11-19-6-8-20(9-7-19)16(24)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,23).
What are the key properties of tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 17393059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).