azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone

C18H23ClN2O — CID 22896817

IUPACazetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
SMILESCN1C2CCC1C(C(=O)N1CCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyZSGILJLOEXMIPG-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.14
Rot. Bonds2

About azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone

azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone (PubChem CID 22896817) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
PubChem CID22896817
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Nameazetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
SMILESCN1C2CCC1C(C(=O)N1CCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyZSGILJLOEXMIPG-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896752
1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 44381232
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(4-chlorophenyl)-N-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896750
(3S,5R)-3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 44295882
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-pyrrolidin-1-yl-methanone
CID 44295887
5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
CID 12012177
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid amide
CID 9944706
[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 9996912
2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N,N-dimethyl-acetamide
CID 11471946
3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 18931828
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-piperidin-1-yl-methanone
CID 22896740

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone (CID 22896817) is azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone is CN1C2CCC1C(C(=O)N1CCC1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone?
The InChIKey is ZSGILJLOEXMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3.
What are the key properties of azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone?
azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone has a molecular weight of 318.85 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanone is sourced from PubChem (CID 22896817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).