2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

C20H29ClN2O3 — CID 26819196

IUPAC2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1Cl
InChIInChI=1S/C20H29ClN2O3/c1-16-14-18(5-6-19(16)21)26-15-20(24)23-8-3-2-4-17(23)7-9-22-10-12-25-13-11-22/h5-6,14,17H,2-4,7-13,15H2,1H3/t17-/m1/s1
InChIKeyPYIOKLHWBAHDEQ-QGZVFWFLSA-N
MW380.92 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (PubChem CID 26819196) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
PubChem CID26819196
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1Cl
InChIInChI=1S/C20H29ClN2O3/c1-16-14-18(5-6-19(16)21)26-15-20(24)23-8-3-2-4-17(23)7-9-22-10-12-25-13-11-22/h5-6,14,17H,2-4,7-13,15H2,1H3/t17-/m1/s1
InChIKeyPYIOKLHWBAHDEQ-QGZVFWFLSA-N
XLogP3.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985380
2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741845
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
2-(4-chlorophenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985039
2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone
CID 119436188
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone;hydrochloride
CID 119436187
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 129398154
7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171389529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (CID 26819196) is 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is Cc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is PYIOKLHWBAHDEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-16-14-18(5-6-19(16)21)26-15-20(24)23-8-3-2-4-17(23)7-9-22-10-12-25-13-11-22/h5-6,14,17H,2-4,7-13,15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 380.92 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 26819196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).