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

C11H17N3O2 — CID 64683059

IUPAC2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile
SMILESCCCC(C#N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N3O2/c1-3-4-9(7-12)11(16)14-6-5-13(2)10(15)8-14/h9H,3-6,8H2,1-2H3
InChIKeyHYBIPMJSTSFYCE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds3

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

2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile (PubChem CID 64683059) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile.

Molecular Properties

Compound Name2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile
PubChem CID64683059
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile
SMILESCCCC(C#N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N3O2/c1-3-4-9(7-12)11(16)14-6-5-13(2)10(15)8-14/h9H,3-6,8H2,1-2H3
InChIKeyHYBIPMJSTSFYCE-UHFFFAOYSA-N
XLogP0.23
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile?
The IUPAC name of 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile (CID 64683059) is 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile.
What is the SMILES notation for 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile?
The canonical SMILES for 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile is CCCC(C#N)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile?
The InChIKey is HYBIPMJSTSFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-9(7-12)11(16)14-6-5-13(2)10(15)8-14/h9H,3-6,8H2,1-2H3.
What are the key properties of 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile?
2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile has a molecular weight of 223.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile is sourced from PubChem (CID 64683059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).