2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide

C14H26N4O — CID 55201973

IUPAC2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H26N4O/c1-5-6-13(11-15)18-9-7-17(8-10-18)12(2)14(19)16(3)4/h12-13H,5-10H2,1-4H3
InChIKeyOKCSTSCHQDTEPJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide

2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 55201973) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID55201973
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H26N4O/c1-5-6-13(11-15)18-9-7-17(8-10-18)12(2)14(19)16(3)4/h12-13H,5-10H2,1-4H3
InChIKeyOKCSTSCHQDTEPJ-UHFFFAOYSA-N
XLogP0.77
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63339834
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341093
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341136
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
3-[4-(1-cyanobutyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 79623377
2-(4-hexylpiperazin-1-yl)pentanenitrile
CID 63339849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide (CID 55201973) is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide is CCCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is OKCSTSCHQDTEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-13(11-15)18-9-7-17(8-10-18)12(2)14(19)16(3)4/h12-13H,5-10H2,1-4H3.
What are the key properties of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide?
2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 266.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 55201973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).