(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

C20H21FN2O2 — CID 111520398

IUPAC(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C20H21FN2O2/c21-16-4-1-14-7-12-23(19(14)13-16)20(25)15-2-5-17(6-3-15)22-10-8-18(24)9-11-22/h1-6,13,18,24H,7-12H2
InChIKeyHVDAXQXXTDQLJY-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.99
Rot. Bonds2

About (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (PubChem CID 111520398) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
PubChem CID111520398
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C20H21FN2O2/c21-16-4-1-14-7-12-23(19(14)13-16)20(25)15-2-5-17(6-3-15)22-10-8-18(24)9-11-22/h1-6,13,18,24H,7-12H2
InChIKeyHVDAXQXXTDQLJY-UHFFFAOYSA-N
XLogP2.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 103500021
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111332091

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (CID 111520398) is (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The canonical SMILES for (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is O=C(c1ccc(N2CCC(O)CC2)cc1)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The InChIKey is HVDAXQXXTDQLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-4-1-14-7-12-23(19(14)13-16)20(25)15-2-5-17(6-3-15)22-10-8-18(24)9-11-22/h1-6,13,18,24H,7-12H2.
What are the key properties of (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is sourced from PubChem (CID 111520398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).