tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate

C16H28N2O4 — CID 130308217

IUPACtert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1CC(=O)OC1CCCC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-9-8-17-11-12(18)10-14(19)21-13-6-4-5-7-13/h12-13,17H,4-11H2,1-3H3
InChIKeyCOQOHJFWDTWTPZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate

tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate (PubChem CID 130308217) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate
PubChem CID130308217
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1CC(=O)OC1CCCC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-9-8-17-11-12(18)10-14(19)21-13-6-4-5-7-13/h12-13,17H,4-11H2,1-3H3
InChIKeyCOQOHJFWDTWTPZ-UHFFFAOYSA-N
XLogP2.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate (CID 130308217) is tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1CC(=O)OC1CCCC1.
What is the InChIKey of tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate?
The InChIKey is COQOHJFWDTWTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-9-8-17-11-12(18)10-14(19)21-13-6-4-5-7-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate?
tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 130308217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).