1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one

C22H27N3O2 — CID 23363964

IUPAC1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-27-20-7-8-21-19(15-20)16-22(26)25(21)14-13-23-9-11-24(12-10-23)17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
InChIKeyMDUJFNJRIMRDAT-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one

1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one (PubChem CID 23363964) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
PubChem CID23363964
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-27-20-7-8-21-19(15-20)16-22(26)25(21)14-13-23-9-11-24(12-10-23)17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
InChIKeyMDUJFNJRIMRDAT-UHFFFAOYSA-N
XLogP2.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-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

1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-3H-indol-2-one;dihydrochloride
CID 23363928
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride
CID 23363972
N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 20608252
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione
CID 174421181
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one (CID 23363964) is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one is COc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one?
The InChIKey is MDUJFNJRIMRDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-20-7-8-21-19(15-20)16-22(26)25(21)14-13-23-9-11-24(12-10-23)17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one?
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one is sourced from PubChem (CID 23363964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).