N,4-ditert-butylpiperazine-1-carboxamide

C13H27N3O — CID 113110298

IUPACN,4-ditert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-12(2,3)14-11(17)15-7-9-16(10-8-15)13(4,5)6/h7-10H2,1-6H3,(H,14,17)
InChIKeyYVNKJAQCVKRPHJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.91
Rot. Bonds

About N,4-ditert-butylpiperazine-1-carboxamide

N,4-ditert-butylpiperazine-1-carboxamide (PubChem CID 113110298) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,4-ditert-butylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-ditert-butylpiperazine-1-carboxamide
PubChem CID113110298
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,4-ditert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-12(2,3)14-11(17)15-7-9-16(10-8-15)13(4,5)6/h7-10H2,1-6H3,(H,14,17)
InChIKeyYVNKJAQCVKRPHJ-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butylpiperazine-1-carboxamide?
The IUPAC name of N,4-ditert-butylpiperazine-1-carboxamide (CID 113110298) is N,4-ditert-butylpiperazine-1-carboxamide.
What is the SMILES notation for N,4-ditert-butylpiperazine-1-carboxamide?
The canonical SMILES for N,4-ditert-butylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N,4-ditert-butylpiperazine-1-carboxamide?
The InChIKey is YVNKJAQCVKRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2,3)14-11(17)15-7-9-16(10-8-15)13(4,5)6/h7-10H2,1-6H3,(H,14,17).
What are the key properties of N,4-ditert-butylpiperazine-1-carboxamide?
N,4-ditert-butylpiperazine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butylpiperazine-1-carboxamide is sourced from PubChem (CID 113110298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).