4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide

C14H27N5O2 — CID 90909249

IUPAC4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C14H27N5O2/c1-14(2,3)19-10-8-18(9-11-19)13(21)17-6-4-16(5-7-17)12(15)20/h4-11H2,1-3H3,(H2,15,20)
InChIKeyRVXCHBOMECBKHX-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds

About 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide

4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide (PubChem CID 90909249) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
PubChem CID90909249
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C14H27N5O2/c1-14(2,3)19-10-8-18(9-11-19)13(21)17-6-4-16(5-7-17)12(15)20/h4-11H2,1-3H3,(H2,15,20)
InChIKeyRVXCHBOMECBKHX-UHFFFAOYSA-N
XLogP0.22
TPSA73.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide (CID 90909249) is 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)N2CCN(C(N)=O)CC2)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is RVXCHBOMECBKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-14(2,3)19-10-8-18(9-11-19)13(21)17-6-4-16(5-7-17)12(15)20/h4-11H2,1-3H3,(H2,15,20).
What are the key properties of 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide?
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 90909249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).