3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone

C20H27FN2O — CID 119635799

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone
SMILESO=C(N1CCC2CCC(C1)N2)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C20H27FN2O/c21-16-6-4-5-15(13-16)20(10-2-1-3-11-20)19(24)23-12-9-17-7-8-18(14-23)22-17/h4-6,13,17-18,22H,1-3,7-12,14H2
InChIKeyGZTMIEOUUWSTNN-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.38
Rot. Bonds2

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone (PubChem CID 119635799) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone
PubChem CID119635799
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone
SMILESO=C(N1CCC2CCC(C1)N2)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C20H27FN2O/c21-16-6-4-5-15(13-16)20(10-2-1-3-11-20)19(24)23-12-9-17-7-8-18(14-23)22-17/h4-6,13,17-18,22H,1-3,7-12,14H2
InChIKeyGZTMIEOUUWSTNN-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone with MolForge

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Related Compounds

[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclobutyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576490
[4-(3-chlorophenyl)oxan-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638947
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119593530
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone (CID 119635799) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone is O=C(N1CCC2CCC(C1)N2)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone?
The InChIKey is GZTMIEOUUWSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-16-6-4-5-15(13-16)20(10-2-1-3-11-20)19(24)23-12-9-17-7-8-18(14-23)22-17/h4-6,13,17-18,22H,1-3,7-12,14H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone is sourced from PubChem (CID 119635799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).