1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride

C24H27ClN2O2 — CID 156702349

IUPAC1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCC(=O)N1CCC(Oc2ccc(-c3cnc4ccc(C)cc4c3)cc2)CC1.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-3-24(27)26-12-10-22(11-13-26)28-21-7-5-18(6-8-21)20-15-19-14-17(2)4-9-23(19)25-16-20;/h4-9,14-16,22H,3,10-13H2,1-2H3;1H
InChIKeyQEQPDXCYVPAPTE-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.41
Rot. Bonds4

About 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride

1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 156702349) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID156702349
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCC(=O)N1CCC(Oc2ccc(-c3cnc4ccc(C)cc4c3)cc2)CC1.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-3-24(27)26-12-10-22(11-13-26)28-21-7-5-18(6-8-21)20-15-19-14-17(2)4-9-23(19)25-16-20;/h4-9,14-16,22H,3,10-13H2,1-2H3;1H
InChIKeyQEQPDXCYVPAPTE-UHFFFAOYSA-N
XLogP5.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413
cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
CID 163996154
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
CID 147036315
3-cyclopropyl-1-[4-[4-(1-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 153119674
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride (CID 156702349) is 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride is CCC(=O)N1CCC(Oc2ccc(-c3cnc4ccc(C)cc4c3)cc2)CC1.Cl.
What is the InChIKey of 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is QEQPDXCYVPAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.ClH/c1-3-24(27)26-12-10-22(11-13-26)28-21-7-5-18(6-8-21)20-15-19-14-17(2)4-9-23(19)25-16-20;/h4-9,14-16,22H,3,10-13H2,1-2H3;1H.
What are the key properties of 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride?
1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 156702349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).