3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

C22H25N3O3 — CID 2918701

IUPAC3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-17(26)15-22(28)19-9-5-6-10-20(19)25(21(22)27)16-23-11-13-24(14-12-23)18-7-3-2-4-8-18/h2-10,28H,11-16H2,1H3
InChIKeyIJNHIYROSHGIFR-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.98
Rot. Bonds5

About 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (PubChem CID 2918701) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
PubChem CID2918701
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-17(26)15-22(28)19-9-5-6-10-20(19)25(21(22)27)16-23-11-13-24(14-12-23)18-7-3-2-4-8-18/h2-10,28H,11-16H2,1H3
InChIKeyIJNHIYROSHGIFR-UHFFFAOYSA-N
XLogP1.98
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3127024
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CID 11141594
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
1-Benzyl-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxyindol-2-one
CID 2955435
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)-1,3-dihydro-2H-indol-2-one
CID 3240749
3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-propyl-1,3-dihydro-2H-indol-2-one
CID 4414000
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CID 5735867
3-Hydroxy-3-(2-(hydroxyimino)propyl)-1-benzylindolin-2-one
CID 9566888
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 15991224
1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 15991227

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (CID 2918701) is 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is CC(=O)CC1(O)C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The InChIKey is IJNHIYROSHGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17(26)15-22(28)19-9-5-6-10-20(19)25(21(22)27)16-23-11-13-24(14-12-23)18-7-3-2-4-8-18/h2-10,28H,11-16H2,1H3.
What are the key properties of 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one has a molecular weight of 379.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 2918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).