(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one

C16H22N2O2 — CID 155352649

IUPAC(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
SMILESCCC1CCCN2C[C@@H]1N(OCc1ccccc1)C2=O
InChIInChI=1S/C16H22N2O2/c1-2-14-9-6-10-17-11-15(14)18(16(17)19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1
InChIKeyYALJGQCGTQERGC-LOACHALJSA-N
MW274.36 g/mol
LogP3.04
Rot. Bonds4

About (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one

(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one (PubChem CID 155352649) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one.

Molecular Properties

Compound Name(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
PubChem CID155352649
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
SMILESCCC1CCCN2C[C@@H]1N(OCc1ccccc1)C2=O
InChIInChI=1S/C16H22N2O2/c1-2-14-9-6-10-17-11-15(14)18(16(17)19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1
InChIKeyYALJGQCGTQERGC-LOACHALJSA-N
XLogP3.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68925768
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(5R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
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5-bromo-1-phenylmethoxypyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one?
The IUPAC name of (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one (CID 155352649) is (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one.
What is the SMILES notation for (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one?
The canonical SMILES for (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one is CCC1CCCN2C[C@@H]1N(OCc1ccccc1)C2=O.
What is the InChIKey of (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one?
The InChIKey is YALJGQCGTQERGC-LOACHALJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-14-9-6-10-17-11-15(14)18(16(17)19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1.
What are the key properties of (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one?
(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one has a molecular weight of 274.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one is sourced from PubChem (CID 155352649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).