[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate

C25H26N2O3 — CID 166429597

IUPAC[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cncc(C3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-29-23-10-8-20(9-11-23)25(28)30-24-16-21(17-26-18-24)19-12-14-27(15-13-19)22-6-4-3-5-7-22/h3-11,16-19H,2,12-15H2,1H3
InChIKeyYATAHYDXXBQJPC-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.08
Rot. Bonds6

About [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate

[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate (PubChem CID 166429597) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate
PubChem CID166429597
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cncc(C3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-29-23-10-8-20(9-11-23)25(28)30-24-16-21(17-26-18-24)19-12-14-27(15-13-19)22-6-4-3-5-7-22/h3-11,16-19H,2,12-15H2,1H3
InChIKeyYATAHYDXXBQJPC-UHFFFAOYSA-N
XLogP5.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate 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

CID 18379352
CID 18379352
CID 162643335
CID 162643335
CID 6383144
CID 6383144
CID 473624
CID 473624
CID 4457075
CID 4457075
CID 3055222
CID 3055222
CID 806488
CID 806488
CID 1120962
CID 1120962
CID 2132776
CID 2132776
CID 3239439
CID 3239439
CID 3288209
CID 3288209
CID 6610913
CID 6610913

Frequently Asked Questions

What is the IUPAC name of [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The IUPAC name of [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate (CID 166429597) is [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate.
What is the SMILES notation for [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The canonical SMILES for [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2cncc(C3CCN(c4ccccc4)CC3)c2)cc1.
What is the InChIKey of [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The InChIKey is YATAHYDXXBQJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-29-23-10-8-20(9-11-23)25(28)30-24-16-21(17-26-18-24)19-12-14-27(15-13-19)22-6-4-3-5-7-22/h3-11,16-19H,2,12-15H2,1H3.
What are the key properties of [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
[5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate has a molecular weight of 402.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylpiperidin-4-yl)-3-pyridinyl] 4-ethoxybenzoate is sourced from PubChem (CID 166429597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).