7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

C25H28Cl2N2O — CID 51347816

IUPAC7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCCC3)CC(c3ccccc3Cl)C1C(c1ccccc1Cl)C2
InChIInChI=1S/C25H28Cl2N2O/c26-21-10-4-2-8-17(21)19-14-25(29-12-6-1-7-13-29)15-20(23(19)24(30)28-16-25)18-9-3-5-11-22(18)27/h2-5,8-11,19-20,23H,1,6-7,12-16H2,(H,28,30)
InChIKeySDALQGMDVGWUPA-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.63
Rot. Bonds3

About 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (PubChem CID 51347816) has the molecular formula C25H28Cl2N2O and a molecular weight of 443.42 g/mol. Its IUPAC name is 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
PubChem CID51347816
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.42 g/mol
Exact Mass442.16
IUPAC Name7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCCC3)CC(c3ccccc3Cl)C1C(c1ccccc1Cl)C2
InChIInChI=1S/C25H28Cl2N2O/c26-21-10-4-2-8-17(21)19-14-25(29-12-6-1-7-13-29)15-20(23(19)24(30)28-16-25)18-9-3-5-11-22(18)27/h2-5,8-11,19-20,23H,1,6-7,12-16H2,(H,28,30)
InChIKeySDALQGMDVGWUPA-UHFFFAOYSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one with MolForge

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Related Compounds

7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037746
6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347217
6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347216
7-(4-nitrophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037139
5-(4-methylpiperazin-1-yl)-7,8-diphenyl-3-azabicyclo[3.2.2]nonan-2-one
CID 51347514
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
CID 22417598
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82621815
6,7-bis(2-chlorophenyl)-4-(dimethylamino)bicyclo[2.2.2]octan-2-one
CID 67037436
7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 123675177
6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347067
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide
CID 67041803

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The IUPAC name of 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (CID 51347816) is 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is O=C1NCC2(N3CCCCC3)CC(c3ccccc3Cl)C1C(c1ccccc1Cl)C2.
What is the InChIKey of 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The InChIKey is SDALQGMDVGWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O/c26-21-10-4-2-8-17(21)19-14-25(29-12-6-1-7-13-29)15-20(23(19)24(30)28-16-25)18-9-3-5-11-22(18)27/h2-5,8-11,19-20,23H,1,6-7,12-16H2,(H,28,30).
What are the key properties of 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one has a molecular weight of 443.42 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(2-chlorophenyl)-5-piperidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 51347816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).