1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C27H26FN3O — CID 110085536

IUPAC1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H26FN3O/c28-22-10-8-19(9-11-22)16-23-4-3-7-25(30-23)20-12-14-31(15-13-20)27(32)17-21-18-29-26-6-2-1-5-24(21)26/h1-11,18,20,29H,12-17H2
InChIKeyRWDAGINISOMPFQ-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.24
Rot. Bonds5

About 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 110085536) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID110085536
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H26FN3O/c28-22-10-8-19(9-11-22)16-23-4-3-7-25(30-23)20-12-14-31(15-13-20)27(32)17-21-18-29-26-6-2-1-5-24(21)26/h1-11,18,20,29H,12-17H2
InChIKeyRWDAGINISOMPFQ-UHFFFAOYSA-N
XLogP5.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
2-(1H-indol-3-yl)-1-[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810020
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 110085536) is 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is RWDAGINISOMPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c28-22-10-8-19(9-11-22)16-23-4-3-7-25(30-23)20-12-14-31(15-13-20)27(32)17-21-18-29-26-6-2-1-5-24(21)26/h1-11,18,20,29H,12-17H2.
What are the key properties of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 427.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).