8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H24FN3O2 — CID 56918979

IUPAC8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ccc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C17H24FN3O2/c1-2-7-21-12-17(10-14(21)16(22)23)5-8-20(9-6-17)15-4-3-13(18)11-19-15/h3-4,11,14H,2,5-10,12H2,1H3,(H,22,23)
InChIKeyDOXGGOJOSVYGSO-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.38
Rot. Bonds4

About 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56918979) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56918979
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ccc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C17H24FN3O2/c1-2-7-21-12-17(10-14(21)16(22)23)5-8-20(9-6-17)15-4-3-13(18)11-19-15/h3-4,11,14H,2,5-10,12H2,1H3,(H,22,23)
InChIKeyDOXGGOJOSVYGSO-UHFFFAOYSA-N
XLogP2.38
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56918979) is 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3ccc(F)cn3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DOXGGOJOSVYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-7-21-12-17(10-14(21)16(22)23)5-8-20(9-6-17)15-4-3-13(18)11-19-15/h3-4,11,14H,2,5-10,12H2,1H3,(H,22,23).
What are the key properties of 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 321.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).