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

C16H23FN4O2 — CID 56890794

IUPAC8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C16H23FN4O2/c1-2-5-21-11-16(8-13(21)14(22)23)3-6-20(7-4-16)15-18-9-12(17)10-19-15/h9-10,13H,2-8,11H2,1H3,(H,22,23)
InChIKeyRIBVLHYUJJUIHV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.77
Rot. Bonds4

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

8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56890794) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56890794
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C16H23FN4O2/c1-2-5-21-11-16(8-13(21)14(22)23)3-6-20(7-4-16)15-18-9-12(17)10-19-15/h9-10,13H,2-8,11H2,1H3,(H,22,23)
InChIKeyRIBVLHYUJJUIHV-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56890794) is 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is RIBVLHYUJJUIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-2-5-21-11-16(8-13(21)14(22)23)3-6-20(7-4-16)15-18-9-12(17)10-19-15/h9-10,13H,2-8,11H2,1H3,(H,22,23).
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56890794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).