3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C21H23ClN2O2 — CID 121195386

IUPAC3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-4-15(12-16)7-10-21(25)24-17-8-9-18(24)14-19(13-17)26-20-6-1-2-11-23-20/h1-6,11-12,17-19H,7-10,13-14H2
InChIKeyNCEPWYLPNDTXDP-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.27
Rot. Bonds5

About 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 121195386) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID121195386
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-4-15(12-16)7-10-21(25)24-17-8-9-18(24)14-19(13-17)26-20-6-1-2-11-23-20/h1-6,11-12,17-19H,7-10,13-14H2
InChIKeyNCEPWYLPNDTXDP-UHFFFAOYSA-N
XLogP4.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one with MolForge

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Related Compounds

1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate
CID 129357300
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195411
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195484
3-[2-oxo-2-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121195352
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 121195386) is 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CCc1cccc(Cl)c1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is NCEPWYLPNDTXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-16-5-3-4-15(12-16)7-10-21(25)24-17-8-9-18(24)14-19(13-17)26-20-6-1-2-11-23-20/h1-6,11-12,17-19H,7-10,13-14H2.
What are the key properties of 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 370.88 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 121195386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).