2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile

C15H25N3O — CID 60692896

IUPAC2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,12-16)18-9-7-17(8-10-18)14(19)11-13-5-3-4-6-13/h13H,3-11H2,1-2H3
InChIKeyAMXKIWRQIJZCKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile

2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile (PubChem CID 60692896) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
PubChem CID60692896
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,12-16)18-9-7-17(8-10-18)14(19)11-13-5-3-4-6-13/h13H,3-11H2,1-2H3
InChIKeyAMXKIWRQIJZCKK-UHFFFAOYSA-N
XLogP2.01
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
CID 65156463
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 103163589
2-[4-(cyclooctanecarbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 65018811
2-cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 143121293
2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
CID 112723615
4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 60681900
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile (CID 60692896) is 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile is CC(C)(C#N)N1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile?
The InChIKey is AMXKIWRQIJZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,12-16)18-9-7-17(8-10-18)14(19)11-13-5-3-4-6-13/h13H,3-11H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile?
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile has a molecular weight of 263.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 60692896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).