tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate

C15H28N4O3 — CID 18321587

IUPACtert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H28N4O3/c1-15(2,3)22-14(21)19-11-9-18(10-12-19)13(20)17-7-5-16(4)6-8-17/h5-12H2,1-4H3
InChIKeyGPMSSJRATSVEMN-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.91
Rot. Bonds

About tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate (PubChem CID 18321587) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate
PubChem CID18321587
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Nametert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H28N4O3/c1-15(2,3)22-14(21)19-11-9-18(10-12-19)13(20)17-7-5-16(4)6-8-17/h5-12H2,1-4H3
InChIKeyGPMSSJRATSVEMN-UHFFFAOYSA-N
XLogP0.91
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate (CID 18321587) is tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate is CN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is GPMSSJRATSVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-15(2,3)22-14(21)19-11-9-18(10-12-19)13(20)17-7-5-16(4)6-8-17/h5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 18321587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).