1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one

C15H24ClNO — CID 63762971

IUPAC1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C15H24ClNO/c16-12-9-13-6-7-14(10-12)17(13)15(18)8-5-11-3-1-2-4-11/h11-14H,1-10H2
InChIKeyLUUBYQMDOZLUIK-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one

1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one (PubChem CID 63762971) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one
PubChem CID63762971
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C15H24ClNO/c16-12-9-13-6-7-14(10-12)17(13)15(18)8-5-11-3-1-2-4-11/h11-14H,1-10H2
InChIKeyLUUBYQMDOZLUIK-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674
3-(3-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 80700737
N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610185
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 114191946
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-4,4-dimethylpentan-1-one
CID 171421265
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-(2-methylphenyl)propan-1-one
CID 63764546

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one (CID 63762971) is 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1C2CCC1CC(Cl)C2.
What is the InChIKey of 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one?
The InChIKey is LUUBYQMDOZLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c16-12-9-13-6-7-14(10-12)17(13)15(18)8-5-11-3-1-2-4-11/h11-14H,1-10H2.
What are the key properties of 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one?
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one has a molecular weight of 269.82 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 63762971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).