6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide

C20H20FN3O — CID 113206297

IUPAC6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H20FN3O/c21-14-4-9-17-18(13-22-19(17)12-14)20(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11H2,(H,23,25)
InChIKeyZWVHNHADRGIPJP-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.55
Rot. Bonds3

About 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide

6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide (PubChem CID 113206297) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
PubChem CID113206297
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H20FN3O/c21-14-4-9-17-18(13-22-19(17)12-14)20(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11H2,(H,23,25)
InChIKeyZWVHNHADRGIPJP-UHFFFAOYSA-N
XLogP4.55
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903656
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide (CID 113206297) is 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide?
The InChIKey is ZWVHNHADRGIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-14-4-9-17-18(13-22-19(17)12-14)20(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11H2,(H,23,25).
What are the key properties of 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide?
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).