1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile

C15H22N2O2 — CID 114390154

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-13-5-9-17(10-6-13)14(18)15(12-16)7-3-2-4-8-15/h5H,2-4,6-11H2,1H3
InChIKeyXOKVXMLKIMGWFK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.27
Rot. Bonds3

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 114390154) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID114390154
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-13-5-9-17(10-6-13)14(18)15(12-16)7-3-2-4-8-15/h5H,2-4,6-11H2,1H3
InChIKeyXOKVXMLKIMGWFK-UHFFFAOYSA-N
XLogP2.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-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 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile (CID 114390154) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile is COCC1=CCN(C(=O)C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is XOKVXMLKIMGWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-11-13-5-9-17(10-6-13)14(18)15(12-16)7-3-2-4-8-15/h5H,2-4,6-11H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 262.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 114390154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).