2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile

C15H25N5 — CID 114527876

IUPAC2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCc2nccn2C)CC1
InChIInChI=1S/C15H25N5/c1-3-4-14(13-16)20-11-9-19(10-12-20)7-5-15-17-6-8-18(15)2/h6,8,14H,3-5,7,9-12H2,1-2H3
InChIKeyILKWGCZGERIVPW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile

2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile (PubChem CID 114527876) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
PubChem CID114527876
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCc2nccn2C)CC1
InChIInChI=1S/C15H25N5/c1-3-4-14(13-16)20-11-9-19(10-12-20)7-5-15-17-6-8-18(15)2/h6,8,14H,3-5,7,9-12H2,1-2H3
InChIKeyILKWGCZGERIVPW-UHFFFAOYSA-N
XLogP1.27
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
CID 63343860
2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 103002523
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propanethioamide
CID 114527913
2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
CID 83156288
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
azane;1-methyl-2-propylimidazole
CID 174525892
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
CID 114527386
2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 106972429
2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
CID 114570663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile (CID 114527876) is 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CCc2nccn2C)CC1.
What is the InChIKey of 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile?
The InChIKey is ILKWGCZGERIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-4-14(13-16)20-11-9-19(10-12-20)7-5-15-17-6-8-18(15)2/h6,8,14H,3-5,7,9-12H2,1-2H3.
What are the key properties of 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile?
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile has a molecular weight of 275.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 114527876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).