1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide

C22H22FN3O2 — CID 113212477

IUPAC1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H22FN3O2/c1-15(27)26-14-20(19-13-16(23)5-10-21(19)26)22(28)24-17-6-8-18(9-7-17)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyHHLHVRFXYYRAOO-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.68
Rot. Bonds3

About 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide

1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide (PubChem CID 113212477) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
PubChem CID113212477
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H22FN3O2/c1-15(27)26-14-20(19-13-16(23)5-10-21(19)26)22(28)24-17-6-8-18(9-7-17)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyHHLHVRFXYYRAOO-UHFFFAOYSA-N
XLogP4.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
CID 110299200
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide (CID 113212477) is 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2cc(F)ccc21.
What is the InChIKey of 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide?
The InChIKey is HHLHVRFXYYRAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(27)26-14-20(19-13-16(23)5-10-21(19)26)22(28)24-17-6-8-18(9-7-17)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28).
What are the key properties of 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide?
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide is sourced from PubChem (CID 113212477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).