7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine

C23H29F2N3O2 — CID 15983704

IUPAC7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1
InChIInChI=1S/C23H29F2N3O2/c1-29-19-5-3-17(4-6-19)20-15-26-14-18-13-22(27-16-21(18)20)30-12-2-9-28-10-7-23(24,25)8-11-28/h3-6,13,16,20,26H,2,7-12,14-15H2,1H3
InChIKeyDFDDKQNUEMRMSJ-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.83
Rot. Bonds7

About 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine

7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983704) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983704
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1
InChIInChI=1S/C23H29F2N3O2/c1-29-19-5-3-17(4-6-19)20-15-26-14-18-13-22(27-16-21(18)20)30-12-2-9-28-10-7-23(24,25)8-11-28/h3-6,13,16,20,26H,2,7-12,14-15H2,1H3
InChIKeyDFDDKQNUEMRMSJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983704) is 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine is COc1ccc(C2CNCc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1.
What is the InChIKey of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is DFDDKQNUEMRMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-29-19-5-3-17(4-6-19)20-15-26-14-18-13-22(27-16-21(18)20)30-12-2-9-28-10-7-23(24,25)8-11-28/h3-6,13,16,20,26H,2,7-12,14-15H2,1H3.
What are the key properties of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine?
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 417.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).