(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

C21H24FN3O — CID 134078359

IUPAC(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN2Cc2cccnc2)CC1
InChIInChI=1S/C21H24FN3O/c22-19-6-1-5-18(14-19)20(26)24-12-8-21(9-13-24)7-3-11-25(21)16-17-4-2-10-23-15-17/h1-2,4-6,10,14-15H,3,7-9,11-13,16H2
InChIKeyPATKNQLLYDDYDT-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.49
Rot. Bonds3

About (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 134078359) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID134078359
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN2Cc2cccnc2)CC1
InChIInChI=1S/C21H24FN3O/c22-19-6-1-5-18(14-19)20(26)24-12-8-21(9-13-24)7-3-11-25(21)16-17-4-2-10-23-15-17/h1-2,4-6,10,14-15H,3,7-9,11-13,16H2
InChIKeyPATKNQLLYDDYDT-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852981
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
CID 97396892
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
(3aS,6aR)-1-(3-fluorobenzoyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97458743
9-(3-fluorobenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131658547
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 134078359) is (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(c1cccc(F)c1)N1CCC2(CCCN2Cc2cccnc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is PATKNQLLYDDYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-19-6-1-5-18(14-19)20(26)24-12-8-21(9-13-24)7-3-11-25(21)16-17-4-2-10-23-15-17/h1-2,4-6,10,14-15H,3,7-9,11-13,16H2.
What are the key properties of (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 353.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 134078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).