2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile

C15H27N3O — CID 63337433

IUPAC2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)CCC(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-4-5-14(12-16)17-8-10-18(11-9-17)15(19)7-6-13(2)3/h13-14H,4-11H2,1-3H3
InChIKeyUFLNNTRGKIFIBK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds6

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

2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile (PubChem CID 63337433) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
PubChem CID63337433
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)CCC(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-4-5-14(12-16)17-8-10-18(11-9-17)15(19)7-6-13(2)3/h13-14H,4-11H2,1-3H3
InChIKeyUFLNNTRGKIFIBK-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile (CID 63337433) is 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(C(=O)CCC(C)C)CC1.
What is the InChIKey of 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile?
The InChIKey is UFLNNTRGKIFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-5-14(12-16)17-8-10-18(11-9-17)15(19)7-6-13(2)3/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile?
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile has a molecular weight of 265.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63337433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).