3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile

C19H21N3O3 — CID 56817172

IUPAC3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
SMILESCc1occc1C(=O)N1CCN(CCOc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H21N3O3/c1-15-18(5-11-24-15)19(23)22-8-6-21(7-9-22)10-12-25-17-4-2-3-16(13-17)14-20/h2-5,11,13H,6-10,12H2,1H3
InChIKeyJHQZZCVYDGBJMQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.30
Rot. Bonds5

About 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile

3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile (PubChem CID 56817172) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
PubChem CID56817172
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
SMILESCc1occc1C(=O)N1CCN(CCOc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H21N3O3/c1-15-18(5-11-24-15)19(23)22-8-6-21(7-9-22)10-12-25-17-4-2-3-16(13-17)14-20/h2-5,11,13H,6-10,12H2,1H3
InChIKeyJHQZZCVYDGBJMQ-UHFFFAOYSA-N
XLogP2.30
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
4-[[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755791
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 43592083
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536
(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489911
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
tert-butyl 3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propanoate
CID 56798003
3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 43288608
3-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzonitrile
CID 115611866

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile (CID 56817172) is 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile is Cc1occc1C(=O)N1CCN(CCOc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile?
The InChIKey is JHQZZCVYDGBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-15-18(5-11-24-15)19(23)22-8-6-21(7-9-22)10-12-25-17-4-2-3-16(13-17)14-20/h2-5,11,13H,6-10,12H2,1H3.
What are the key properties of 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile?
3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile has a molecular weight of 339.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 56817172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).