2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile

C14H25N3O — CID 114291223

IUPAC2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-6-14(5,11-15)12(18)16-7-9-17(10-8-16)13(2,3)4/h6-10H2,1-5H3
InChIKeyUWOCYVXWFYJEAC-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile

2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile (PubChem CID 114291223) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
PubChem CID114291223
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-6-14(5,11-15)12(18)16-7-9-17(10-8-16)13(2,3)4/h6-10H2,1-5H3
InChIKeyUWOCYVXWFYJEAC-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 114291464
2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
CID 114291589
methyl 1-(2-cyano-2-methylbutanoyl)piperidine-4-carboxylate
CID 114291031
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile
CID 114460062
(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
CID 164642267
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
CID 114797595
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)butanenitrile
CID 114291704
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
2-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)butanenitrile
CID 114291386

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile?
The IUPAC name of 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile (CID 114291223) is 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile is CCC(C)(C#N)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile?
The InChIKey is UWOCYVXWFYJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-14(5,11-15)12(18)16-7-9-17(10-8-16)13(2,3)4/h6-10H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile?
2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile has a molecular weight of 251.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile is sourced from PubChem (CID 114291223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).