2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile

C11H19N3O2 — CID 55218750

IUPAC2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
SMILESCCOCC(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C11H19N3O2/c1-3-16-9-11(15)14-6-4-13(5-7-14)10(2)8-12/h10H,3-7,9H2,1-2H3
InChIKeyNWKSIBSCIOLBAC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile

2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile (PubChem CID 55218750) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
PubChem CID55218750
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
SMILESCCOCC(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C11H19N3O2/c1-3-16-9-11(15)14-6-4-13(5-7-14)10(2)8-12/h10H,3-7,9H2,1-2H3
InChIKeyNWKSIBSCIOLBAC-UHFFFAOYSA-N
XLogP0.08
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]propanenitrile
CID 103208256
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
CID 103163584
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile
CID 63337761
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
ethyl 2-[4-(1-cyanoethyl)piperazin-1-yl]sulfonylacetate
CID 55202346
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propanenitrile
CID 63337503
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile (CID 55218750) is 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile is CCOCC(=O)N1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile?
The InChIKey is NWKSIBSCIOLBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-9-11(15)14-6-4-13(5-7-14)10(2)8-12/h10H,3-7,9H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile?
2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile has a molecular weight of 225.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 55218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).