3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione

C19H24FN3O4 — CID 175631402

IUPAC3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione
SMILESCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)CCCCC2=C(OC)C1F
InChIInChI=1S/C19H24FN3O4/c1-21-13-7-6-12-11(17(27-2)16(13)20)5-3-4-10-23(19(12)26)14-8-9-15(24)22-18(14)25/h6-7,14,16,21H,3-5,8-10H2,1-2H3,(H,22,24,25)
InChIKeySXBPAKLPNRXNKL-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.09
Rot. Bonds3

About 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione

3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione (PubChem CID 175631402) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione
PubChem CID175631402
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione
SMILESCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)CCCCC2=C(OC)C1F
InChIInChI=1S/C19H24FN3O4/c1-21-13-7-6-12-11(17(27-2)16(13)20)5-3-4-10-23(19(12)26)14-8-9-15(24)22-18(14)25/h6-7,14,16,21H,3-5,8-10H2,1-2H3,(H,22,24,25)
InChIKeySXBPAKLPNRXNKL-UHFFFAOYSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(8-Fluoro-7-methoxy-1-oxo-3,4,5,6,8,9-hexahydro-2-benzazocin-2-yl)piperidine-2,6-dione
CID 171847212
N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 175630866
3-(9,13-Difluoro-11-methoxy-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175630867
N-(2,6-dioxopiperidin-3-yl)-7-(ethylamino)-2,3-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 175630870
(2E)-2-[(3E)-1-(2,6-dioxopiperidin-3-yl)-3-(2-fluoroethylidene)-2-oxoazocan-4-ylidene]-2-methoxy-N-(methylamino)acetonitrilium
CID 175630913
3-[(3Z,4E)-3-(1-fluoroethylidene)-4-(methoxymethylidene)-2-oxoazocan-1-yl]piperidine-2,6-dione
CID 175630958
3-(11-Amino-10-fluoro-9-methoxy-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175630959
3-(13-Fluoro-9,11-dimethoxy-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175631311
3-(9,12-Difluoro-11-methoxy-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175631312
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175631403
3-(11-Amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175631543
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 166077702

Frequently Asked Questions

What is the IUPAC name of 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione (CID 175631402) is 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione is CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)CCCCC2=C(OC)C1F.
What is the InChIKey of 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione?
The InChIKey is SXBPAKLPNRXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-21-13-7-6-12-11(17(27-2)16(13)20)5-3-4-10-23(19(12)26)14-8-9-15(24)22-18(14)25/h6-7,14,16,21H,3-5,8-10H2,1-2H3,(H,22,24,25).
What are the key properties of 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione?
3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione has a molecular weight of 377.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-fluoro-9-methoxy-11-(methylamino)-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 175631402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).