3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide

C11H20N4O — CID 63337622

IUPAC3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCN(CC#N)CC1
InChIInChI=1S/C11H20N4O/c1-13(2)11(16)3-5-14-7-9-15(6-4-12)10-8-14/h3,5-10H2,1-2H3
InChIKeyUTRLWWHUDMSELG-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.39
Rot. Bonds4

About 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide

3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 63337622) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID63337622
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCN(CC#N)CC1
InChIInChI=1S/C11H20N4O/c1-13(2)11(16)3-5-14-7-9-15(6-4-12)10-8-14/h3,5-10H2,1-2H3
InChIKeyUTRLWWHUDMSELG-UHFFFAOYSA-N
XLogP-0.39
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
4-[4-(cyanomethyl)piperazin-1-yl]-N-methylbutanamide
CID 63891643
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
2-(4-hexylpiperazin-1-yl)acetonitrile
CID 55219659
N,N-dimethyl-3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305448
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile
CID 157308516
N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 136579508
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide (CID 63337622) is 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCN(CC#N)CC1.
What is the InChIKey of 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is UTRLWWHUDMSELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-13(2)11(16)3-5-14-7-9-15(6-4-12)10-8-14/h3,5-10H2,1-2H3.
What are the key properties of 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 224.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63337622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).