4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one

C26H24FN3O — CID 164781493

IUPAC4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one
SMILESO=C1CC(c2cn(Cc3cccc(F)c3)c3ccccc23)CCN1Cc1ccncc1
InChIInChI=1S/C26H24FN3O/c27-22-5-3-4-20(14-22)17-30-18-24(23-6-1-2-7-25(23)30)21-10-13-29(26(31)15-21)16-19-8-11-28-12-9-19/h1-9,11-12,14,18,21H,10,13,15-17H2
InChIKeyNBRLOTACNDJQDN-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.13
Rot. Bonds5

About 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one

4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one (PubChem CID 164781493) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one
PubChem CID164781493
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one
SMILESO=C1CC(c2cn(Cc3cccc(F)c3)c3ccccc23)CCN1Cc1ccncc1
InChIInChI=1S/C26H24FN3O/c27-22-5-3-4-20(14-22)17-30-18-24(23-6-1-2-7-25(23)30)21-10-13-29(26(31)15-21)16-19-8-11-28-12-9-19/h1-9,11-12,14,18,21H,10,13,15-17H2
InChIKeyNBRLOTACNDJQDN-UHFFFAOYSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[(3-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 46090026
4-bromo-3-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 10185564
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
2-[2-[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 10115186
ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate
CID 134811783
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
CID 84612219
(1R,2S,6R,7R)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126413737
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one?
The IUPAC name of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one (CID 164781493) is 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one is O=C1CC(c2cn(Cc3cccc(F)c3)c3ccccc23)CCN1Cc1ccncc1.
What is the InChIKey of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one?
The InChIKey is NBRLOTACNDJQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-22-5-3-4-20(14-22)17-30-18-24(23-6-1-2-7-25(23)30)21-10-13-29(26(31)15-21)16-19-8-11-28-12-9-19/h1-9,11-12,14,18,21H,10,13,15-17H2.
What are the key properties of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one?
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one has a molecular weight of 413.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 164781493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).