2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile

C11H17N3O2 — CID 114291589

IUPAC2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N3O2/c1-4-11(2,8-12)10(16)14-6-5-13(3)9(15)7-14/h4-7H2,1-3H3
InChIKeyPJBUMOPFPLZUJJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds2

About 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile

2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile (PubChem CID 114291589) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
PubChem CID114291589
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N3O2/c1-4-11(2,8-12)10(16)14-6-5-13(3)9(15)7-14/h4-7H2,1-3H3
InChIKeyPJBUMOPFPLZUJJ-UHFFFAOYSA-N
XLogP0.23
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
CID 114291223
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile
CID 114291528
2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile
CID 64683059
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
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-2-methylbutanenitrile
CID 114291491
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 114291464
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
CID 20660448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile?
The IUPAC name of 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile (CID 114291589) is 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile?
The canonical SMILES for 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile is CCC(C)(C#N)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile?
The InChIKey is PJBUMOPFPLZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-11(2,8-12)10(16)14-6-5-13(3)9(15)7-14/h4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile?
2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile has a molecular weight of 223.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile is sourced from PubChem (CID 114291589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).