(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C21H24FN3O — CID 3233005

IUPAC(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C21H24FN3O/c22-19-4-1-3-18(13-19)20(26)25-11-2-7-21(16-25)8-12-24(15-21)14-17-5-9-23-10-6-17/h1,3-6,9-10,13H,2,7-8,11-12,14-16H2/t21-/m0/s1
InChIKeyBEOFKPYKDYIIRX-NRFANRHFSA-N
MW353.44 g/mol
LogP3.35
Rot. Bonds3

About (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233005) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233005
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C21H24FN3O/c22-19-4-1-3-18(13-19)20(26)25-11-2-7-21(16-25)8-12-24(15-21)14-17-5-9-23-10-6-17/h1,3-6,9-10,13H,2,7-8,11-12,14-16H2/t21-/m0/s1
InChIKeyBEOFKPYKDYIIRX-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233005) is (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1.
What is the InChIKey of (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is BEOFKPYKDYIIRX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-19-4-1-3-18(13-19)20(26)25-11-2-7-21(16-25)8-12-24(15-21)14-17-5-9-23-10-6-17/h1,3-6,9-10,13H,2,7-8,11-12,14-16H2/t21-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone 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 (3-fluorophenyl)-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).