1-tert-butylpiperazine-2-carboxamide

C9H19N3O — CID 10313426

IUPAC1-tert-butylpiperazine-2-carboxamide
SMILESCC(C)(C)N1CCNCC1C(N)=O
InChIInChI=1S/C9H19N3O/c1-9(2,3)12-5-4-11-6-7(12)8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyJNRRLWDZDUZHJG-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds1

About 1-tert-butylpiperazine-2-carboxamide

1-tert-butylpiperazine-2-carboxamide (PubChem CID 10313426) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-tert-butylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-tert-butylpiperazine-2-carboxamide
PubChem CID10313426
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-tert-butylpiperazine-2-carboxamide
SMILESCC(C)(C)N1CCNCC1C(N)=O
InChIInChI=1S/C9H19N3O/c1-9(2,3)12-5-4-11-6-7(12)8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyJNRRLWDZDUZHJG-UHFFFAOYSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine-2-carboxamide?
The IUPAC name of 1-tert-butylpiperazine-2-carboxamide (CID 10313426) is 1-tert-butylpiperazine-2-carboxamide.
What is the SMILES notation for 1-tert-butylpiperazine-2-carboxamide?
The canonical SMILES for 1-tert-butylpiperazine-2-carboxamide is CC(C)(C)N1CCNCC1C(N)=O.
What is the InChIKey of 1-tert-butylpiperazine-2-carboxamide?
The InChIKey is JNRRLWDZDUZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)12-5-4-11-6-7(12)8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 1-tert-butylpiperazine-2-carboxamide?
1-tert-butylpiperazine-2-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine-2-carboxamide is sourced from PubChem (CID 10313426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).