(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone

C20H24N2O2 — CID 53150935

IUPAC(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-2-4-18(5-3-16)20(23)22-13-8-17(9-14-22)10-15-24-19-6-11-21-12-7-19/h2-7,11-12,17H,8-10,13-15H2,1H3
InChIKeyNKPMMOZGQROPSH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds5

About (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone

(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone (PubChem CID 53150935) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
PubChem CID53150935
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-2-4-18(5-3-16)20(23)22-13-8-17(9-14-22)10-15-24-19-6-11-21-12-7-19/h2-7,11-12,17H,8-10,13-15H2,1H3
InChIKeyNKPMMOZGQROPSH-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]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 (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone (CID 53150935) is (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(CCOc3ccncc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The InChIKey is NKPMMOZGQROPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-2-4-18(5-3-16)20(23)22-13-8-17(9-14-22)10-15-24-19-6-11-21-12-7-19/h2-7,11-12,17H,8-10,13-15H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
(4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).