(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one

C15H25FN4O2 — CID 176572156

IUPAC(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
SMILESC[C@@H]1CN2C3C(CC(F)CC3C(=O)N1)NC2N1CCOCC1
InChIInChI=1S/C15H25FN4O2/c1-9-8-20-13-11(14(21)17-9)6-10(16)7-12(13)18-15(20)19-2-4-22-5-3-19/h9-13,15,18H,2-8H2,1H3,(H,17,21)/t9-,10?,11?,12?,13?,15?/m1/s1
InChIKeyBHZSQSOSDAVHFB-LHALRJPCSA-N
MW312.39 g/mol
LogP-0.49
Rot. Bonds1

About (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one

(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one (PubChem CID 176572156) has the molecular formula C15H25FN4O2 and a molecular weight of 312.39 g/mol. Its IUPAC name is (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one.

Molecular Properties

Compound Name(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
PubChem CID176572156
Molecular FormulaC15H25FN4O2
Molecular Weight312.39 g/mol
Exact Mass312.20
IUPAC Name(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
SMILESC[C@@H]1CN2C3C(CC(F)CC3C(=O)N1)NC2N1CCOCC1
InChIInChI=1S/C15H25FN4O2/c1-9-8-20-13-11(14(21)17-9)6-10(16)7-12(13)18-15(20)19-2-4-22-5-3-19/h9-13,15,18H,2-8H2,1H3,(H,17,21)/t9-,10?,11?,12?,13?,15?/m1/s1
InChIKeyBHZSQSOSDAVHFB-LHALRJPCSA-N
XLogP-0.49
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The IUPAC name of (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one (CID 176572156) is (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one.
What is the SMILES notation for (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The canonical SMILES for (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one is C[C@@H]1CN2C3C(CC(F)CC3C(=O)N1)NC2N1CCOCC1.
What is the InChIKey of (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The InChIKey is BHZSQSOSDAVHFB-LHALRJPCSA-N. The full InChI is InChI=1S/C15H25FN4O2/c1-9-8-20-13-11(14(21)17-9)6-10(16)7-12(13)18-15(20)19-2-4-22-5-3-19/h9-13,15,18H,2-8H2,1H3,(H,17,21)/t9-,10?,11?,12?,13?,15?/m1/s1.
What are the key properties of (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
(11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one has a molecular weight of 312.39 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-6-fluoro-11-methyl-2-morpholin-4-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one is sourced from PubChem (CID 176572156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).