2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride

C26H32Cl3N3O — CID 24844906

IUPAC2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(C2CN(C(CN3CCCCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C26H29N3O.3ClH/c1-4-11-21(12-5-1)23(19-28-17-8-3-9-18-28)29-20-25(22-13-6-2-7-14-22)30-24-15-10-16-27-26(24)29;;;/h1-2,4-7,10-16,23,25H,3,8-9,17-20H2;3*1H
InChIKeyXSNITASSNUBEAK-UHFFFAOYSA-N
MW508.92 g/mol
LogP6.51
Rot. Bonds5

About 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride

2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride (PubChem CID 24844906) has the molecular formula C26H32Cl3N3O and a molecular weight of 508.92 g/mol. Its IUPAC name is 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride.

Molecular Properties

Compound Name2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
PubChem CID24844906
Molecular FormulaC26H32Cl3N3O
Molecular Weight508.92 g/mol
Exact Mass507.16
IUPAC Name2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(C2CN(C(CN3CCCCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C26H29N3O.3ClH/c1-4-11-21(12-5-1)23(19-28-17-8-3-9-18-28)29-20-25(22-13-6-2-7-14-22)30-24-15-10-16-27-26(24)29;;;/h1-2,4-7,10-16,23,25H,3,8-9,17-20H2;3*1H
InChIKeyXSNITASSNUBEAK-UHFFFAOYSA-N
XLogP6.51
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride 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 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The IUPAC name of 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride (CID 24844906) is 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride.
What is the SMILES notation for 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The canonical SMILES for 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride is Cl.Cl.Cl.c1ccc(C2CN(C(CN3CCCCC3)c3ccccc3)c3ncccc3O2)cc1.
What is the InChIKey of 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The InChIKey is XSNITASSNUBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O.3ClH/c1-4-11-21(12-5-1)23(19-28-17-8-3-9-18-28)29-20-25(22-13-6-2-7-14-22)30-24-15-10-16-27-26(24)29;;;/h1-2,4-7,10-16,23,25H,3,8-9,17-20H2;3*1H.
What are the key properties of 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride has a molecular weight of 508.92 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride is sourced from PubChem (CID 24844906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).