15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one

C19H14FN3O3 — CID 67376186

IUPAC15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
SMILESO=C1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1
InChIInChI=1S/C19H14FN3O3/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9H,4-5,7-8H2,(H,21,25)
InChIKeyJPWQJJFEPXSOIU-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.13
Rot. Bonds1

About 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one

15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one (PubChem CID 67376186) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one.

Molecular Properties

Compound Name15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
PubChem CID67376186
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
SMILESO=C1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1
InChIInChI=1S/C19H14FN3O3/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9H,4-5,7-8H2,(H,21,25)
InChIKeyJPWQJJFEPXSOIU-UHFFFAOYSA-N
XLogP3.13
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The IUPAC name of 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one (CID 67376186) is 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one.
What is the SMILES notation for 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The canonical SMILES for 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one is O=C1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1.
What is the InChIKey of 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The InChIKey is JPWQJJFEPXSOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9H,4-5,7-8H2,(H,21,25).
What are the key properties of 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one has a molecular weight of 351.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-4-(4-oxopiperidin-1-yl)-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one is sourced from PubChem (CID 67376186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).