4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

C22H29N3O — CID 15983456

IUPAC4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C22H29N3O/c1-3-8-18(9-4-1)20-16-23-15-19-14-22(24-17-21(19)20)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14,17,20,23H,2,5-7,10-13,15-16H2
InChIKeyUFTSHWLSGKIRED-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.57
Rot. Bonds6

About 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983456) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983456
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C22H29N3O/c1-3-8-18(9-4-1)20-16-23-15-19-14-22(24-17-21(19)20)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14,17,20,23H,2,5-7,10-13,15-16H2
InChIKeyUFTSHWLSGKIRED-UHFFFAOYSA-N
XLogP3.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983456) is 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is c1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1.
What is the InChIKey of 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is UFTSHWLSGKIRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-8-18(9-4-1)20-16-23-15-19-14-22(24-17-21(19)20)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14,17,20,23H,2,5-7,10-13,15-16H2.
What are the key properties of 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 351.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).