5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one

C26H28FN3O3 — CID 166886553

IUPAC5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one
SMILESCCCC1=Cc2cc(N3CCOc4cc(C(=O)N5CCC(C)(F)CC5)cnc43)ccc2C1=O
InChIInChI=1S/C26H28FN3O3/c1-3-4-17-13-18-14-20(5-6-21(18)23(17)31)30-11-12-33-22-15-19(16-28-24(22)30)25(32)29-9-7-26(2,27)8-10-29/h5-6,13-16H,3-4,7-12H2,1-2H3
InChIKeyGHFJCBCDCSZPQF-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.96
Rot. Bonds4

About 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one

5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one (PubChem CID 166886553) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one.

Molecular Properties

Compound Name5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one
PubChem CID166886553
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one
SMILESCCCC1=Cc2cc(N3CCOc4cc(C(=O)N5CCC(C)(F)CC5)cnc43)ccc2C1=O
InChIInChI=1S/C26H28FN3O3/c1-3-4-17-13-18-14-20(5-6-21(18)23(17)31)30-11-12-33-22-15-19(16-28-24(22)30)25(32)29-9-7-26(2,27)8-10-29/h5-6,13-16H,3-4,7-12H2,1-2H3
InChIKeyGHFJCBCDCSZPQF-UHFFFAOYSA-N
XLogP4.96
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one?
The IUPAC name of 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one (CID 166886553) is 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one.
What is the SMILES notation for 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one?
The canonical SMILES for 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one is CCCC1=Cc2cc(N3CCOc4cc(C(=O)N5CCC(C)(F)CC5)cnc43)ccc2C1=O.
What is the InChIKey of 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one?
The InChIKey is GHFJCBCDCSZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-3-4-17-13-18-14-20(5-6-21(18)23(17)31)30-11-12-33-22-15-19(16-28-24(22)30)25(32)29-9-7-26(2,27)8-10-29/h5-6,13-16H,3-4,7-12H2,1-2H3.
What are the key properties of 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one?
5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one has a molecular weight of 449.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one is sourced from PubChem (CID 166886553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).