1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C22H26FN3O — CID 131663162

IUPAC1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(Cc3cccnc3)CC2)N1Cc1cccc(F)c1
InChIInChI=1S/C22H26FN3O/c23-20-6-1-4-18(14-20)17-26-21(27)7-9-22(26)8-3-12-25(13-10-22)16-19-5-2-11-24-15-19/h1-2,4-6,11,14-15H,3,7-10,12-13,16-17H2
InChIKeyLTSNXKOTWVRVBM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.77
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131663162) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131663162
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(Cc3cccnc3)CC2)N1Cc1cccc(F)c1
InChIInChI=1S/C22H26FN3O/c23-20-6-1-4-18(14-20)17-26-21(27)7-9-22(26)8-3-12-25(13-10-22)16-19-5-2-11-24-15-19/h1-2,4-6,11,14-15H,3,7-10,12-13,16-17H2
InChIKeyLTSNXKOTWVRVBM-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118743992
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
9-(oxolan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838750
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
8-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838684
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131663162) is 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CCC2(CCCN(Cc3cccnc3)CC2)N1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is LTSNXKOTWVRVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-20-6-1-4-18(14-20)17-26-21(27)7-9-22(26)8-3-12-25(13-10-22)16-19-5-2-11-24-15-19/h1-2,4-6,11,14-15H,3,7-10,12-13,16-17H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131663162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).