5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one

C22H23BrN2O3 — CID 134119581

IUPAC5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C22H23BrN2O3/c23-17-9-10-19-18(13-17)22(28,14-20(26)16-7-3-1-4-8-16)21(27)25(19)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,28H,2,5-6,11-12,14-15H2
InChIKeyWXNNRIVGMZCECR-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.70
Rot. Bonds5

About 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one

5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 134119581) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID134119581
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C22H23BrN2O3/c23-17-9-10-19-18(13-17)22(28,14-20(26)16-7-3-1-4-8-16)21(27)25(19)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,28H,2,5-6,11-12,14-15H2
InChIKeyWXNNRIVGMZCECR-UHFFFAOYSA-N
XLogP3.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-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

(3R)-5-bromo-3-hydroxy-3-phenacyl-1-propylindol-2-one
CID 7357384
(3S)-5-bromo-3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 1075401
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425616
(3S)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 124536071
(3R)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 7357496
(3R)-1-benzyl-5-bromo-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 98168699
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ylmethyl)indol-2-one
CID 17078154
(3R)-1-benzyl-5-bromo-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1255841
5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one (CID 134119581) is 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one is O=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is WXNNRIVGMZCECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c23-17-9-10-19-18(13-17)22(28,14-20(26)16-7-3-1-4-8-16)21(27)25(19)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,28H,2,5-6,11-12,14-15H2.
What are the key properties of 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one?
5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 443.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 134119581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).