1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one

C25H26ClFN2O — CID 162228825

IUPAC1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
SMILESCC(CC(=O)Cc1ccc(Cl)cc1)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26ClFN2O/c1-17(14-22(30)15-18-2-4-20(26)5-3-18)19-9-12-29(13-10-19)25-8-11-28-24-7-6-21(27)16-23(24)25/h2-8,11,16-17,19H,9-10,12-15H2,1H3
InChIKeyZVDAYMWNZKAXHQ-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.08
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one

1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one (PubChem CID 162228825) has the molecular formula C25H26ClFN2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
PubChem CID162228825
Molecular FormulaC25H26ClFN2O
Molecular Weight424.95 g/mol
Exact Mass424.17
IUPAC Name1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
SMILESCC(CC(=O)Cc1ccc(Cl)cc1)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26ClFN2O/c1-17(14-22(30)15-18-2-4-20(26)5-3-18)19-9-12-29(13-10-19)25-8-11-28-24-7-6-21(27)16-23(24)25/h2-8,11,16-17,19H,9-10,12-15H2,1H3
InChIKeyZVDAYMWNZKAXHQ-UHFFFAOYSA-N
XLogP6.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
CID 146794529
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
CID 147207500
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
3-(4-chlorophenyl)-1-[(3S,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3S,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione
CID 157102398
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one (CID 162228825) is 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one is CC(CC(=O)Cc1ccc(Cl)cc1)C1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one?
The InChIKey is ZVDAYMWNZKAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O/c1-17(14-22(30)15-18-2-4-20(26)5-3-18)19-9-12-29(13-10-19)25-8-11-28-24-7-6-21(27)16-23(24)25/h2-8,11,16-17,19H,9-10,12-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one?
1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one has a molecular weight of 424.95 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one is sourced from PubChem (CID 162228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).