N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide

C11H20N4O — CID 79085462

IUPACN-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCNCC1C#N
InChIInChI=1S/C11H20N4O/c1-3-9(2)14-11(16)8-15-5-4-13-7-10(15)6-12/h9-10,13H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyQKIYGSNSPRXUPY-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.30
Rot. Bonds4

About N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide

N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide (PubChem CID 79085462) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
PubChem CID79085462
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCNCC1C#N
InChIInChI=1S/C11H20N4O/c1-3-9(2)14-11(16)8-15-5-4-13-7-10(15)6-12/h9-10,13H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyQKIYGSNSPRXUPY-UHFFFAOYSA-N
XLogP-0.30
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide (CID 79085462) is N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide is CCC(C)NC(=O)CN1CCNCC1C#N.
What is the InChIKey of N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide?
The InChIKey is QKIYGSNSPRXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(2)14-11(16)8-15-5-4-13-7-10(15)6-12/h9-10,13H,3-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide?
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide is sourced from PubChem (CID 79085462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).