2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C15H28N4O — CID 63339834

IUPAC2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)NC(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)13(4)15(20)17-12(2)3/h12-14H,5-10H2,1-4H3,(H,17,20)
InChIKeyTYSHXJNEVLLVLW-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.21
Rot. Bonds6

About 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 63339834) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID63339834
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)NC(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)13(4)15(20)17-12(2)3/h12-14H,5-10H2,1-4H3,(H,17,20)
InChIKeyTYSHXJNEVLLVLW-UHFFFAOYSA-N
XLogP1.21
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 55201973
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
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
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
methyl 2-[4-(1-cyanobutyl)piperazin-1-yl]sulfonylacetate
CID 63341005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 63339834) is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CCCC(C#N)N1CCN(C(C)C(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is TYSHXJNEVLLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)13(4)15(20)17-12(2)3/h12-14H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 280.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 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-propan-2-ylpropanamide is sourced from PubChem (CID 63339834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).