2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide

C16H22FN3O — CID 102850753

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H22FN3O/c17-12-3-4-14(13(9-12)15(18)21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2,(H2,18,21)
InChIKeyJAOYIGHQYMDQAP-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide

2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide (PubChem CID 102850753) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide
PubChem CID102850753
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H22FN3O/c17-12-3-4-14(13(9-12)15(18)21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2,(H2,18,21)
InChIKeyJAOYIGHQYMDQAP-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
CID 102850523
2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
CID 89272054
2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
CID 112740364
2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline
CID 70887019
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-(3-azaspiro[5.5]undecan-3-yl)-5-fluorobenzenecarbothioamide
CID 63672722
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
2-(3-azaspiro[5.5]undecan-3-yl)-5-fluorobenzoic acid
CID 63534808
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
2-(4-iodo-2-nitrophenyl)-2,8-diazaspiro[5.5]undecane
CID 102850703
2-(8-azaspiro[4.5]decan-8-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004280
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide (CID 102850753) is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide is NC(=O)c1cc(F)ccc1N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide?
The InChIKey is JAOYIGHQYMDQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-3-4-14(13(9-12)15(18)21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2,(H2,18,21).
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide?
2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide has a molecular weight of 291.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide is sourced from PubChem (CID 102850753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).