6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

C21H20FN3O2 — CID 155033800

IUPAC6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NOCc2c(-c3ccc([C@H]4CCCNC4)cc3)[nH]c3cc(F)cc1c23
InChIInChI=1S/C21H20FN3O2/c22-15-8-16-19-17(11-27-25-21(16)26)20(24-18(19)9-15)13-5-3-12(4-6-13)14-2-1-7-23-10-14/h3-6,8-9,14,23-24H,1-2,7,10-11H2,(H,25,26)/t14-/m0/s1
InChIKeyLMAULOZUJNEBOA-AWEZNQCLSA-N
MW365.41 g/mol
LogP3.62
Rot. Bonds2

About 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (PubChem CID 155033800) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
PubChem CID155033800
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NOCc2c(-c3ccc([C@H]4CCCNC4)cc3)[nH]c3cc(F)cc1c23
InChIInChI=1S/C21H20FN3O2/c22-15-8-16-19-17(11-27-25-21(16)26)20(24-18(19)9-15)13-5-3-12(4-6-13)14-2-1-7-23-10-14/h3-6,8-9,14,23-24H,1-2,7,10-11H2,(H,25,26)/t14-/m0/s1
InChIKeyLMAULOZUJNEBOA-AWEZNQCLSA-N
XLogP3.62
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one with MolForge

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Related Compounds

6-fluoro-2-[4-[(2S)-pyrrolidin-2-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 155033520
6-fluoro-2-[3-fluoro-4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol
CID 155033796
2-(2-fluoro-4-piperidin-3-ylphenyl)-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 165086913
2-[2-fluoro-4-[(3S)-piperidin-3-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 164995097
2-(4-ethylphenyl)-6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 154675798
12,12-dideuterio-2-[3-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 164762281
12,12-dideuterio-2-[3-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 164762296
6-fluoro-2-[4-(hydroxymethyl)phenyl]-3,10,12-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 150528862
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
1-[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]-3-hydroxy-N-methyl-3-oxopropan-1-amine oxide
CID 163836386
2-[3-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]-6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 175003799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The IUPAC name of 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (CID 155033800) is 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is O=C1NOCc2c(-c3ccc([C@H]4CCCNC4)cc3)[nH]c3cc(F)cc1c23.
What is the InChIKey of 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The InChIKey is LMAULOZUJNEBOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-8-16-19-17(11-27-25-21(16)26)20(24-18(19)9-15)13-5-3-12(4-6-13)14-2-1-7-23-10-14/h3-6,8-9,14,23-24H,1-2,7,10-11H2,(H,25,26)/t14-/m0/s1.
What are the key properties of 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one has a molecular weight of 365.41 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 155033800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).