N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide

C27H26FN3O — CID 44585927

IUPACN-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32)
InChIKeyVMTCHHSTQXKXRR-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.94
Rot. Bonds5

About N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide

N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide (PubChem CID 44585927) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide
PubChem CID44585927
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC NameN-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32)
InChIKeyVMTCHHSTQXKXRR-UHFFFAOYSA-N
XLogP5.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Fluoro CUMYL-PICA
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4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide (CID 44585927) is N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide is O=C(Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The InChIKey is VMTCHHSTQXKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32).
What are the key properties of N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide?
N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide has a molecular weight of 427.52 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 44585927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).