[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

C21H24FN3O — CID 131661981

IUPAC[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC2(CCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C21H24FN3O/c22-19-6-4-17(5-7-19)14-24-12-9-21(15-24)8-2-11-25(16-21)20(26)18-3-1-10-23-13-18/h1,3-7,10,13H,2,8-9,11-12,14-16H2
InChIKeyWJQSWWSLLPZXDX-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.35
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (PubChem CID 131661981) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
PubChem CID131661981
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC2(CCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C21H24FN3O/c22-19-6-4-17(5-7-19)14-24-12-9-21(15-24)8-2-11-25(16-21)20(26)18-3-1-10-23-13-18/h1,3-7,10,13H,2,8-9,11-12,14-16H2
InChIKeyWJQSWWSLLPZXDX-UHFFFAOYSA-N
XLogP3.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(3,5-dimethoxyphenyl)-[(5R)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95208822
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone
CID 97472755
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688
4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
CID 3234423
(2-ethylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845554

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (CID 131661981) is [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC2(CCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The InChIKey is WJQSWWSLLPZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-19-6-4-17(5-7-19)14-24-12-9-21(15-24)8-2-11-25(16-21)20(26)18-3-1-10-23-13-18/h1,3-7,10,13H,2,8-9,11-12,14-16H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone has a molecular weight of 353.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131661981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).