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

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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).