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

C18H24N2O2 — CID 44517701

IUPAC[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3
InChIKeyQEEAFOYNFWSWBQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.10
Rot. Bonds2

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

[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone (PubChem CID 44517701) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone
PubChem CID44517701
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3
InChIKeyQEEAFOYNFWSWBQ-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone 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 [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone (CID 44517701) is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1.
What is the InChIKey of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is QEEAFOYNFWSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3.
What are the key properties of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone?
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 300.40 g/mol, XLogP of 2.10, 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]-(4-methylphenyl)methanone is sourced from PubChem (CID 44517701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).