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

C15H25N3O2 — CID 103163584

IUPAC2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
SMILESCCOC1CC(CC(=O)N2CCN(C(C)C#N)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-3-20-14-8-13(9-14)10-15(19)18-6-4-17(5-7-18)12(2)11-16/h12-14H,3-10H2,1-2H3
InChIKeyLTXCEPMOLQVSNI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.25
Rot. Bonds5

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

2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile (PubChem CID 103163584) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
PubChem CID103163584
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
SMILESCCOC1CC(CC(=O)N2CCN(C(C)C#N)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-3-20-14-8-13(9-14)10-15(19)18-6-4-17(5-7-18)12(2)11-16/h12-14H,3-10H2,1-2H3
InChIKeyLTXCEPMOLQVSNI-UHFFFAOYSA-N
XLogP1.25
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 103163589
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
CID 55218750
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propanenitrile
CID 63337503
ethyl 2-[4-(1-cyanoethyl)piperazin-1-yl]sulfonylacetate
CID 55202346
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile (CID 103163584) is 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile is CCOC1CC(CC(=O)N2CCN(C(C)C#N)CC2)C1.
What is the InChIKey of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile?
The InChIKey is LTXCEPMOLQVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-20-14-8-13(9-14)10-15(19)18-6-4-17(5-7-18)12(2)11-16/h12-14H,3-10H2,1-2H3.
What are the key properties of 2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile?
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile has a molecular weight of 279.38 g/mol, XLogP of 1.25, 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]propanenitrile is sourced from PubChem (CID 103163584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).