N-butyl-2-(2-cyanopiperazin-1-yl)propanamide

C12H22N4O — CID 79086227

IUPACN-butyl-2-(2-cyanopiperazin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCNCC1C#N
InChIInChI=1S/C12H22N4O/c1-3-4-5-15-12(17)10(2)16-7-6-14-9-11(16)8-13/h10-11,14H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyGZFBGNJVQQGOQG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.09
Rot. Bonds5

About N-butyl-2-(2-cyanopiperazin-1-yl)propanamide

N-butyl-2-(2-cyanopiperazin-1-yl)propanamide (PubChem CID 79086227) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-2-(2-cyanopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(2-cyanopiperazin-1-yl)propanamide
PubChem CID79086227
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-butyl-2-(2-cyanopiperazin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCNCC1C#N
InChIInChI=1S/C12H22N4O/c1-3-4-5-15-12(17)10(2)16-7-6-14-9-11(16)8-13/h10-11,14H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyGZFBGNJVQQGOQG-UHFFFAOYSA-N
XLogP0.09
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-cyanopiperazin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(2-cyanopiperazin-1-yl)propanamide (CID 79086227) is N-butyl-2-(2-cyanopiperazin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(2-cyanopiperazin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(2-cyanopiperazin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCNCC1C#N.
What is the InChIKey of N-butyl-2-(2-cyanopiperazin-1-yl)propanamide?
The InChIKey is GZFBGNJVQQGOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-15-12(17)10(2)16-7-6-14-9-11(16)8-13/h10-11,14H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-(2-cyanopiperazin-1-yl)propanamide?
N-butyl-2-(2-cyanopiperazin-1-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-cyanopiperazin-1-yl)propanamide is sourced from PubChem (CID 79086227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).