7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile

C20H24N2O2 — CID 163949889

IUPAC7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile
SMILESCCc1ccc2c(c1)C(N1CCC(C)(OC)CC1)=C(C#N)C(=O)C2
InChIInChI=1S/C20H24N2O2/c1-4-14-5-6-15-12-18(23)17(13-21)19(16(15)11-14)22-9-7-20(2,24-3)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXFRHKEVEEIUBIR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.11
Rot. Bonds3

About 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile

7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile (PubChem CID 163949889) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile
PubChem CID163949889
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile
SMILESCCc1ccc2c(c1)C(N1CCC(C)(OC)CC1)=C(C#N)C(=O)C2
InChIInChI=1S/C20H24N2O2/c1-4-14-5-6-15-12-18(23)17(13-21)19(16(15)11-14)22-9-7-20(2,24-3)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXFRHKEVEEIUBIR-UHFFFAOYSA-N
XLogP3.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile?
The IUPAC name of 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile (CID 163949889) is 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile.
What is the SMILES notation for 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile?
The canonical SMILES for 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile is CCc1ccc2c(c1)C(N1CCC(C)(OC)CC1)=C(C#N)C(=O)C2.
What is the InChIKey of 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile?
The InChIKey is XFRHKEVEEIUBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14-5-6-15-12-18(23)17(13-21)19(16(15)11-14)22-9-7-20(2,24-3)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile?
7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile has a molecular weight of 324.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile is sourced from PubChem (CID 163949889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).