3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal

C25H26N2O3 — CID 162457247

IUPAC3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal
SMILESO=CCCN1CCC(Oc2ccc(-c3ccc(Oc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c28-18-4-15-27-16-13-24(14-17-27)29-23-10-7-20(8-11-23)21-9-12-25(26-19-21)30-22-5-2-1-3-6-22/h1-3,5-12,18-19,24H,4,13-17H2
InChIKeyOZHKYNQDTWBRHC-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.97
Rot. Bonds8

About 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal

3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal (PubChem CID 162457247) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal
PubChem CID162457247
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal
SMILESO=CCCN1CCC(Oc2ccc(-c3ccc(Oc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c28-18-4-15-27-16-13-24(14-17-27)29-23-10-7-20(8-11-23)21-9-12-25(26-19-21)30-22-5-2-1-3-6-22/h1-3,5-12,18-19,24H,4,13-17H2
InChIKeyOZHKYNQDTWBRHC-UHFFFAOYSA-N
XLogP4.97
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal 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 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal?
The IUPAC name of 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal (CID 162457247) is 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal.
What is the SMILES notation for 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal?
The canonical SMILES for 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal is O=CCCN1CCC(Oc2ccc(-c3ccc(Oc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal?
The InChIKey is OZHKYNQDTWBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-18-4-15-27-16-13-24(14-17-27)29-23-10-7-20(8-11-23)21-9-12-25(26-19-21)30-22-5-2-1-3-6-22/h1-3,5-12,18-19,24H,4,13-17H2.
What are the key properties of 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal?
3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal has a molecular weight of 402.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(6-phenoxy-3-pyridinyl)phenoxy]piperidin-1-yl]propanal is sourced from PubChem (CID 162457247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).