tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate

C17H32N4O3 — CID 76584806

IUPACtert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C17H32N4O3/c1-13(2)20-10-11-21(16(23)24-17(3,4)5)14(12-20)15(22)19-8-6-18-7-9-19/h13-14,18H,6-12H2,1-5H3
InChIKeyXJYYBORHLZYIMQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds2

About tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate

tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 76584806) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate
PubChem CID76584806
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Nametert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C17H32N4O3/c1-13(2)20-10-11-21(16(23)24-17(3,4)5)14(12-20)15(22)19-8-6-18-7-9-19/h13-14,18H,6-12H2,1-5H3
InChIKeyXJYYBORHLZYIMQ-UHFFFAOYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate (CID 76584806) is tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCNCC2)C1.
What is the InChIKey of tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XJYYBORHLZYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-13(2)20-10-11-21(16(23)24-17(3,4)5)14(12-20)15(22)19-8-6-18-7-9-19/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 340.47 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 76584806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).