2-(4-pentanoylpiperazin-1-yl)butanenitrile

C13H23N3O — CID 63337468

IUPAC2-(4-pentanoylpiperazin-1-yl)butanenitrile
SMILESCCCCC(=O)N1CCN(C(C#N)CC)CC1
InChIInChI=1S/C13H23N3O/c1-3-5-6-13(17)16-9-7-15(8-10-16)12(4-2)11-14/h12H,3-10H2,1-2H3
InChIKeyVXITUXJOQAQCHG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.62
Rot. Bonds5

About 2-(4-pentanoylpiperazin-1-yl)butanenitrile

2-(4-pentanoylpiperazin-1-yl)butanenitrile (PubChem CID 63337468) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(4-pentanoylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-pentanoylpiperazin-1-yl)butanenitrile
PubChem CID63337468
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(4-pentanoylpiperazin-1-yl)butanenitrile
SMILESCCCCC(=O)N1CCN(C(C#N)CC)CC1
InChIInChI=1S/C13H23N3O/c1-3-5-6-13(17)16-9-7-15(8-10-16)12(4-2)11-14/h12H,3-10H2,1-2H3
InChIKeyVXITUXJOQAQCHG-UHFFFAOYSA-N
XLogP1.62
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
2-(4-methylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetonitrile
CID 110349768
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]butanenitrile
CID 63337639
2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337599
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337903
2-[4-(2-phenoxyacetyl)piperazin-1-yl]butanenitrile
CID 63337514
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
CID 63337816

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentanoylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-(4-pentanoylpiperazin-1-yl)butanenitrile (CID 63337468) is 2-(4-pentanoylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-(4-pentanoylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-(4-pentanoylpiperazin-1-yl)butanenitrile is CCCCC(=O)N1CCN(C(C#N)CC)CC1.
What is the InChIKey of 2-(4-pentanoylpiperazin-1-yl)butanenitrile?
The InChIKey is VXITUXJOQAQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-13(17)16-9-7-15(8-10-16)12(4-2)11-14/h12H,3-10H2,1-2H3.
What are the key properties of 2-(4-pentanoylpiperazin-1-yl)butanenitrile?
2-(4-pentanoylpiperazin-1-yl)butanenitrile has a molecular weight of 237.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentanoylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 63337468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).