[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone

C19H25ClN2O2 — CID 22896743

IUPAC[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
SMILESCN1C2CCC1C(C(=O)N1CCOCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H25ClN2O2/c1-21-15-6-7-17(21)18(19(23)22-8-10-24-11-9-22)16(12-15)13-2-4-14(20)5-3-13/h2-5,15-18H,6-12H2,1H3
InChIKeyROEMCFXKYNACBD-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.77
Rot. Bonds2

About [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone

[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone (PubChem CID 22896743) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
PubChem CID22896743
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
SMILESCN1C2CCC1C(C(=O)N1CCOCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H25ClN2O2/c1-21-15-6-7-17(21)18(19(23)22-8-10-24-11-9-22)16(12-15)13-2-4-14(20)5-3-13/h2-5,15-18H,6-12H2,1H3
InChIKeyROEMCFXKYNACBD-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone 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
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
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
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
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-isoxazolidin-2-yl-methanone
CID 22896741
3-(4-chlorophenyl)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896751
3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896753
3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896754

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone (CID 22896743) is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone is CN1C2CCC1C(C(=O)N1CCOCC1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ROEMCFXKYNACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-21-15-6-7-17(21)18(19(23)22-8-10-24-11-9-22)16(12-15)13-2-4-14(20)5-3-13/h2-5,15-18H,6-12H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 348.87 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22896743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).