3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone

C16H21FN2O — CID 63978997

IUPAC3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-4-13(12-18-14)15(20)19-10-8-16(9-11-19)6-2-1-3-7-16/h4-5,12H,1-3,6-11H2
InChIKeyAVTLGIDXDSEWRY-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.41
Rot. Bonds1

About 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone

3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone (PubChem CID 63978997) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone
PubChem CID63978997
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-4-13(12-18-14)15(20)19-10-8-16(9-11-19)6-2-1-3-7-16/h4-5,12H,1-3,6-11H2
InChIKeyAVTLGIDXDSEWRY-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-pyridinyl)methanone
CID 63977651
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100
8-azaspiro[4.5]decan-8-yl-[6-(methylamino)-3-pyridinyl]methanone
CID 63161967
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
3-azaspiro[5.5]undecan-3-yl-[4-(bromomethyl)phenyl]methanone
CID 102851630
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone (CID 63978997) is 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone is O=C(c1ccc(F)nc1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone?
The InChIKey is AVTLGIDXDSEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-4-13(12-18-14)15(20)19-10-8-16(9-11-19)6-2-1-3-7-16/h4-5,12H,1-3,6-11H2.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone?
3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone has a molecular weight of 276.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 63978997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).