(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C16H26N2O2 — CID 15432956

IUPAC(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCO[C@@]12CCCC(=O)N1C[C@@H]1C[C@H]2CN2CCCC[C@H]12
InChIInChI=1S/C16H26N2O2/c1-20-16-7-4-6-15(19)18(16)10-12-9-13(16)11-17-8-3-2-5-14(12)17/h12-14H,2-11H2,1H3/t12-,13-,14+,16+/m0/s1
InChIKeyBKGPLASQVXPYMX-TTZDDIAXSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds1

About (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 15432956) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID15432956
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCO[C@@]12CCCC(=O)N1C[C@@H]1C[C@H]2CN2CCCC[C@H]12
InChIInChI=1S/C16H26N2O2/c1-20-16-7-4-6-15(19)18(16)10-12-9-13(16)11-17-8-3-2-5-14(12)17/h12-14H,2-11H2,1H3/t12-,13-,14+,16+/m0/s1
InChIKeyBKGPLASQVXPYMX-TTZDDIAXSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 15432956) is (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is CO[C@@]12CCCC(=O)N1C[C@@H]1C[C@H]2CN2CCCC[C@H]12.
What is the InChIKey of (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is BKGPLASQVXPYMX-TTZDDIAXSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-20-16-7-4-6-15(19)18(16)10-12-9-13(16)11-17-8-3-2-5-14(12)17/h12-14H,2-11H2,1H3/t12-,13-,14+,16+/m0/s1.
What are the key properties of (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 15432956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).