N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide

C29H28FN3O2 — CID 46521131

IUPACN-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C29H28FN3O2/c30-22-11-13-26-25(19-22)24(28(32-26)20-7-3-1-4-8-20)12-14-27(34)33-17-15-23(16-18-33)31-29(35)21-9-5-2-6-10-21/h1-11,13,19,23,32H,12,14-18H2,(H,31,35)
InChIKeyPGFSITTUYHXFRB-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.33
Rot. Bonds6

About N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide

N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 46521131) has the molecular formula C29H28FN3O2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
PubChem CID46521131
Molecular FormulaC29H28FN3O2
Molecular Weight469.56 g/mol
Exact Mass469.22
IUPAC NameN-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C29H28FN3O2/c30-22-11-13-26-25(19-22)24(28(32-26)20-7-3-1-4-8-20)12-14-27(34)33-17-15-23(16-18-33)31-29(35)21-9-5-2-6-10-21/h1-11,13,19,23,32H,12,14-18H2,(H,31,35)
InChIKeyPGFSITTUYHXFRB-UHFFFAOYSA-N
XLogP5.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55506676
4-[[4-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperazin-1-yl]methyl]benzamide
CID 112826584
1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257302
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17481914
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 166586133
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18833151

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide (CID 46521131) is N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is PGFSITTUYHXFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2/c30-22-11-13-26-25(19-22)24(28(32-26)20-7-3-1-4-8-20)12-14-27(34)33-17-15-23(16-18-33)31-29(35)21-9-5-2-6-10-21/h1-11,13,19,23,32H,12,14-18H2,(H,31,35).
What are the key properties of N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide?
N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46521131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).