tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate

C16H27NO4 — CID 58736933

IUPACtert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C1CC1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO4/c1-5-20-14(18)13-10-12(13)11-6-8-17(9-7-11)15(19)21-16(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyZDRALRNNZOSAFJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate

tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate (PubChem CID 58736933) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate
PubChem CID58736933
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C1CC1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO4/c1-5-20-14(18)13-10-12(13)11-6-8-17(9-7-11)15(19)21-16(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyZDRALRNNZOSAFJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate (CID 58736933) is tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate is CCOC(=O)C1CC1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate?
The InChIKey is ZDRALRNNZOSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-20-14(18)13-10-12(13)11-6-8-17(9-7-11)15(19)21-16(2,3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate?
tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethoxycarbonylcyclopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 58736933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).