3-(2-cyanopiperazin-1-yl)propanamide

C8H14N4O — CID 79086609

IUPAC3-(2-cyanopiperazin-1-yl)propanamide
SMILESN#CC1CNCCN1CCC(N)=O
InChIInChI=1S/C8H14N4O/c9-5-7-6-11-2-4-12(7)3-1-8(10)13/h7,11H,1-4,6H2,(H2,10,13)
InChIKeyIJTSCULOXYNOEQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.34
Rot. Bonds3

About 3-(2-cyanopiperazin-1-yl)propanamide

3-(2-cyanopiperazin-1-yl)propanamide (PubChem CID 79086609) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(2-cyanopiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-cyanopiperazin-1-yl)propanamide
PubChem CID79086609
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(2-cyanopiperazin-1-yl)propanamide
SMILESN#CC1CNCCN1CCC(N)=O
InChIInChI=1S/C8H14N4O/c9-5-7-6-11-2-4-12(7)3-1-8(10)13/h7,11H,1-4,6H2,(H2,10,13)
InChIKeyIJTSCULOXYNOEQ-UHFFFAOYSA-N
XLogP-1.34
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
CID 79094861
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240
3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 79621560
1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
CID 79086405
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopiperazin-1-yl)propanamide?
The IUPAC name of 3-(2-cyanopiperazin-1-yl)propanamide (CID 79086609) is 3-(2-cyanopiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(2-cyanopiperazin-1-yl)propanamide?
The canonical SMILES for 3-(2-cyanopiperazin-1-yl)propanamide is N#CC1CNCCN1CCC(N)=O.
What is the InChIKey of 3-(2-cyanopiperazin-1-yl)propanamide?
The InChIKey is IJTSCULOXYNOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-5-7-6-11-2-4-12(7)3-1-8(10)13/h7,11H,1-4,6H2,(H2,10,13).
What are the key properties of 3-(2-cyanopiperazin-1-yl)propanamide?
3-(2-cyanopiperazin-1-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopiperazin-1-yl)propanamide is sourced from PubChem (CID 79086609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).