3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one

C17H22FNO — CID 65324258

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCCC2CCCC21)c1ccccc1F
InChIInChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)17(20)10-12-19-11-4-6-13-5-3-9-16(13)19/h1-2,7-8,13,16H,3-6,9-12H2
InChIKeyHQONPJPPKQXHDR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one (PubChem CID 65324258) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
PubChem CID65324258
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCCC2CCCC21)c1ccccc1F
InChIInChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)17(20)10-12-19-11-4-6-13-5-3-9-16(13)19/h1-2,7-8,13,16H,3-6,9-12H2
InChIKeyHQONPJPPKQXHDR-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
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3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
CID 62643032
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one (CID 65324258) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one is O=C(CCN1CCCC2CCCC21)c1ccccc1F.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The InChIKey is HQONPJPPKQXHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)17(20)10-12-19-11-4-6-13-5-3-9-16(13)19/h1-2,7-8,13,16H,3-6,9-12H2.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one has a molecular weight of 275.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 65324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).