4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one

C29H33FN2O2 — CID 58190167

IUPAC4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one
SMILESO=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cn1
InChIInChI=1S/C29H33FN2O2/c30-26-7-4-6-23(20-26)8-13-28(33)21-27-12-9-25(22-31-27)24-10-14-29(15-11-24)34-19-5-18-32-16-2-1-3-17-32/h4,6-7,9-12,14-15,20,22H,1-3,5,8,13,16-19,21H2
InChIKeyLRNBDGXXAGBRAY-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.89
Rot. Bonds11

About 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one

4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one (PubChem CID 58190167) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one
PubChem CID58190167
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one
SMILESO=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cn1
InChIInChI=1S/C29H33FN2O2/c30-26-7-4-6-23(20-26)8-13-28(33)21-27-12-9-25(22-31-27)24-10-14-29(15-11-24)34-19-5-18-32-16-2-1-3-17-32/h4,6-7,9-12,14-15,20,22H,1-3,5,8,13,16-19,21H2
InChIKeyLRNBDGXXAGBRAY-UHFFFAOYSA-N
XLogP5.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one 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

Bisacodyl
CID 2391
Tirbanibulin
CID 23635314
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
4-[3-[4-[(R)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777738
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
Cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one (CID 58190167) is 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one is O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cn1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one?
The InChIKey is LRNBDGXXAGBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c30-26-7-4-6-23(20-26)8-13-28(33)21-27-12-9-25(22-31-27)24-10-14-29(15-11-24)34-19-5-18-32-16-2-1-3-17-32/h4,6-7,9-12,14-15,20,22H,1-3,5,8,13,16-19,21H2.
What are the key properties of 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one?
4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one has a molecular weight of 460.59 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58190167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).