5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine

C21H25N3O — CID 71452073

IUPAC5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
SMILESCCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1
InChIInChI=1S/C21H25N3O/c1-2-11-24-12-8-16(9-13-24)15-25-21-18-7-10-22-14-19(18)17-5-3-4-6-20(17)23-21/h3-7,10,14,16H,2,8-9,11-13,15H2,1H3
InChIKeyKFMOMAKLQSWJAC-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.28
Rot. Bonds5

About 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine

5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine (PubChem CID 71452073) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine.

Molecular Properties

Compound Name5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
PubChem CID71452073
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
SMILESCCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1
InChIInChI=1S/C21H25N3O/c1-2-11-24-12-8-16(9-13-24)15-25-21-18-7-10-22-14-19(18)17-5-3-4-6-20(17)23-21/h3-7,10,14,16H,2,8-9,11-13,15H2,1H3
InChIKeyKFMOMAKLQSWJAC-UHFFFAOYSA-N
XLogP4.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine?
The IUPAC name of 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine (CID 71452073) is 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine.
What is the SMILES notation for 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine?
The canonical SMILES for 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine is CCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1.
What is the InChIKey of 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine?
The InChIKey is KFMOMAKLQSWJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-11-24-12-8-16(9-13-24)15-25-21-18-7-10-22-14-19(18)17-5-3-4-6-20(17)23-21/h3-7,10,14,16H,2,8-9,11-13,15H2,1H3.
What are the key properties of 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine?
5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine has a molecular weight of 335.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine is sourced from PubChem (CID 71452073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).