(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H31FN2O2 — CID 11487028

IUPAC(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc(C3=CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C26H31FN2O2/c1-19(2)28-17-13-25(14-18-28)31-24-9-5-20(6-10-24)21-11-15-29(16-12-21)26(30)22-3-7-23(27)8-4-22/h3-11,19,25H,12-18H2,1-2H3
InChIKeyAUDFWNJSBWERPS-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.01
Rot. Bonds5

About (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 11487028) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID11487028
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc(C3=CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C26H31FN2O2/c1-19(2)28-17-13-25(14-18-28)31-24-9-5-20(6-10-24)21-11-15-29(16-12-21)26(30)22-3-7-23(27)8-4-22/h3-11,19,25H,12-18H2,1-2H3
InChIKeyAUDFWNJSBWERPS-UHFFFAOYSA-N
XLogP5.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-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-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 11487028) is (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is CC(C)N1CCC(Oc2ccc(C3=CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is AUDFWNJSBWERPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-19(2)28-17-13-25(14-18-28)31-24-9-5-20(6-10-24)21-11-15-29(16-12-21)26(30)22-3-7-23(27)8-4-22/h3-11,19,25H,12-18H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 422.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 11487028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).