2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile

C16H27N3O2 — CID 103163589

IUPAC2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
SMILESCCOC1CC(CC(=O)N2CCN(C(C)(C)C#N)CC2)C1
InChIInChI=1S/C16H27N3O2/c1-4-21-14-9-13(10-14)11-15(20)18-5-7-19(8-6-18)16(2,3)12-17/h13-14H,4-11H2,1-3H3
InChIKeyZETOJSLOJFZBOZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.64
Rot. Bonds5

About 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile

2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile (PubChem CID 103163589) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
PubChem CID103163589
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
SMILESCCOC1CC(CC(=O)N2CCN(C(C)(C)C#N)CC2)C1
InChIInChI=1S/C16H27N3O2/c1-4-21-14-9-13(10-14)11-15(20)18-5-7-19(8-6-18)16(2,3)12-17/h13-14H,4-11H2,1-3H3
InChIKeyZETOJSLOJFZBOZ-UHFFFAOYSA-N
XLogP1.64
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
CID 103163584
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
CID 65156463
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166996
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile (CID 103163589) is 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile is CCOC1CC(CC(=O)N2CCN(C(C)(C)C#N)CC2)C1.
What is the InChIKey of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile?
The InChIKey is ZETOJSLOJFZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-21-14-9-13(10-14)11-15(20)18-5-7-19(8-6-18)16(2,3)12-17/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile?
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile has a molecular weight of 293.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 103163589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).