1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one

C19H23FN2O3 — CID 59529930

IUPAC1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one
SMILESCC(=O)Cc1c(C(=O)N2CCC(CCO)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H23FN2O3/c1-12(24)10-16-15-11-14(20)2-3-17(15)21-18(16)19(25)22-7-4-13(5-8-22)6-9-23/h2-3,11,13,21,23H,4-10H2,1H3
InChIKeyUHVQXVMOTSJTEC-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.67
Rot. Bonds5

About 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one

1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one (PubChem CID 59529930) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one
PubChem CID59529930
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one
SMILESCC(=O)Cc1c(C(=O)N2CCC(CCO)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H23FN2O3/c1-12(24)10-16-15-11-14(20)2-3-17(15)21-18(16)19(25)22-7-4-13(5-8-22)6-9-23/h2-3,11,13,21,23H,4-10H2,1H3
InChIKeyUHVQXVMOTSJTEC-UHFFFAOYSA-N
XLogP2.67
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one 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

(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
CID 31896980
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 91076811
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 70757953
(3R,4R)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]-4-hydroxypiperidine-3-carboxylic acid
CID 165417203
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
3-[(cyclobutanecarbonylamino)methyl]-5-fluoro-1H-indole-2-carboxylic acid
CID 82214084

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one?
The IUPAC name of 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one (CID 59529930) is 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one is CC(=O)Cc1c(C(=O)N2CCC(CCO)CC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one?
The InChIKey is UHVQXVMOTSJTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12(24)10-16-15-11-14(20)2-3-17(15)21-18(16)19(25)22-7-4-13(5-8-22)6-9-23/h2-3,11,13,21,23H,4-10H2,1H3.
What are the key properties of 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one?
1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one has a molecular weight of 346.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-indol-3-yl]propan-2-one is sourced from PubChem (CID 59529930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).