(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

C18H24FN3O2 — CID 75529067

IUPAC(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCN1CCC(N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-20-7-4-15(5-8-20)21-9-6-16-12-24-18(23)22(16)17-10-14(19)3-2-13(17)11-21/h2-3,10,15-16H,4-9,11-12H2,1H3/t16-/m0/s1
InChIKeyJDGGGRIYJAIWNZ-INIZCTEOSA-N
MW333.41 g/mol
LogP2.45
Rot. Bonds1

About (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 75529067) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

Molecular Properties

Compound Name(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
PubChem CID75529067
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCN1CCC(N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-20-7-4-15(5-8-20)21-9-6-16-12-24-18(23)22(16)17-10-14(19)3-2-13(17)11-21/h2-3,10,15-16H,4-9,11-12H2,1H3/t16-/m0/s1
InChIKeyJDGGGRIYJAIWNZ-INIZCTEOSA-N
XLogP2.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-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 (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The IUPAC name of (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 75529067) is (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.
What is the SMILES notation for (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The canonical SMILES for (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is CN1CCC(N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CC1.
What is the InChIKey of (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The InChIKey is JDGGGRIYJAIWNZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-20-7-4-15(5-8-20)21-9-6-16-12-24-18(23)22(16)17-10-14(19)3-2-13(17)11-21/h2-3,10,15-16H,4-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
(6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one has a molecular weight of 333.41 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-14-fluoro-9-(1-methylpiperidin-4-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 75529067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).