[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone

C17H22N2O2 — CID 46886605

IUPAC[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone
SMILESCN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1
InChIInChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3
InChIKeyJPJAHZBSXJVECD-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds2

About [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone

[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone (PubChem CID 46886605) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone
PubChem CID46886605
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone
SMILESCN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1
InChIInChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3
InChIKeyJPJAHZBSXJVECD-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone?
The IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone (CID 46886605) is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone is CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1.
What is the InChIKey of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone?
The InChIKey is JPJAHZBSXJVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3.
What are the key properties of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone?
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone has a molecular weight of 286.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 46886605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).