1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride

C22H23ClN2O2 — CID 156702413

IUPAC1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3)cc2)CC1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-16(25)24-12-10-21(11-13-24)26-20-8-6-17(7-9-20)19-14-18-4-2-3-5-22(18)23-15-19;/h2-9,14-15,21H,10-13H2,1H3;1H
InChIKeyVBAYHWQCMKQIQE-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.71
Rot. Bonds3

About 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride

1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 156702413) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
PubChem CID156702413
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3)cc2)CC1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-16(25)24-12-10-21(11-13-24)26-20-8-6-17(7-9-20)19-14-18-4-2-3-5-22(18)23-15-19;/h2-9,14-15,21H,10-13H2,1H3;1H
InChIKeyVBAYHWQCMKQIQE-UHFFFAOYSA-N
XLogP4.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride 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

1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
CID 156702349
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
CID 163996154
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
cyclopropyl-[4-[4-(6-methoxyquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 155010934
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
1-[4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-1-yl]ethanone
CID 156780426
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
CID 147036315
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride (CID 156702413) is 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is VBAYHWQCMKQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c1-16(25)24-12-10-21(11-13-24)26-20-8-6-17(7-9-20)19-14-18-4-2-3-5-22(18)23-15-19;/h2-9,14-15,21H,10-13H2,1H3;1H.
What are the key properties of 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride?
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 156702413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).