3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide

C25H28FN3O2 — CID 55803522

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCC(=O)N1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-19-9-11-22-21(17-19)20(25(28-22)18-7-3-1-4-8-18)10-12-23(30)27-14-13-24(31)29-15-5-2-6-16-29/h1,3-4,7-9,11,17,28H,2,5-6,10,12-16H2,(H,27,30)
InChIKeyPWLAJKAPLHXUFC-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.43
Rot. Bonds7

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide (PubChem CID 55803522) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
PubChem CID55803522
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCC(=O)N1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-19-9-11-22-21(17-19)20(25(28-22)18-7-3-1-4-8-18)10-12-23(30)27-14-13-24(31)29-15-5-2-6-16-29/h1,3-4,7-9,11,17,28H,2,5-6,10,12-16H2,(H,27,30)
InChIKeyPWLAJKAPLHXUFC-UHFFFAOYSA-N
XLogP4.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 8531448
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
CID 46521131
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
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484
1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257302
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 46463974
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide (CID 55803522) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide is O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The InChIKey is PWLAJKAPLHXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-19-9-11-22-21(17-19)20(25(28-22)18-7-3-1-4-8-18)10-12-23(30)27-14-13-24(31)29-15-5-2-6-16-29/h1,3-4,7-9,11,17,28H,2,5-6,10,12-16H2,(H,27,30).
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide has a molecular weight of 421.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 55803522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).