(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H31FN2O2 — CID 11293126

IUPAC(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC=C(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C26H31FN2O2/c27-24-9-5-23(6-10-24)26(30)29-18-13-22(14-19-29)21-7-11-25(12-8-21)31-20-4-17-28-15-2-1-3-16-28/h5-13H,1-4,14-20H2
InChIKeyLIWOVSLTFBVUME-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.01
Rot. Bonds7

About (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 11293126) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID11293126
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC=C(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C26H31FN2O2/c27-24-9-5-23(6-10-24)26(30)29-18-13-22(14-19-29)21-7-11-25(12-8-21)31-20-4-17-28-15-2-1-3-16-28/h5-13H,1-4,14-20H2
InChIKeyLIWOVSLTFBVUME-UHFFFAOYSA-N
XLogP5.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 11293126) is (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC=C(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LIWOVSLTFBVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-24-9-5-23(6-10-24)26(30)29-18-13-22(14-19-29)21-7-11-25(12-8-21)31-20-4-17-28-15-2-1-3-16-28/h5-13H,1-4,14-20H2.
What are the key properties of (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 422.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 11293126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).