(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone

C20H20N2O3 — CID 22336071

IUPAC(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2CN(C(=O)c3ccccc3)CC(C1)O2
InChIInChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)21-11-17-13-22(14-18(12-21)25-17)20(24)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOQHPAEHSQMKXSG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.05
Rot. Bonds2

About (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone

(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone (PubChem CID 22336071) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
PubChem CID22336071
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2CN(C(=O)c3ccccc3)CC(C1)O2
InChIInChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)21-11-17-13-22(14-18(12-21)25-17)20(24)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOQHPAEHSQMKXSG-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371264
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
3-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)phenyl]prop-2-enoic acid
CID 77126544
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(1-benzoylazetidin-3-yl)methanesulfonic acid
CID 150251295
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
CID 102468577

Frequently Asked Questions

What is the IUPAC name of (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone?
The IUPAC name of (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone (CID 22336071) is (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone.
What is the SMILES notation for (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone?
The canonical SMILES for (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone is O=C(c1ccccc1)N1CC2CN(C(=O)c3ccccc3)CC(C1)O2.
What is the InChIKey of (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone?
The InChIKey is OQHPAEHSQMKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)21-11-17-13-22(14-18(12-21)25-17)20(24)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone?
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone has a molecular weight of 336.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone is sourced from PubChem (CID 22336071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).