1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone

C21H22N4O3 — CID 113212751

IUPAC1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(c3ccccn3)CC1)cn2C(C)=O
InChIInChI=1S/C21H22N4O3/c1-15(26)25-14-18(17-13-16(28-2)6-7-19(17)25)21(27)24-11-9-23(10-12-24)20-5-3-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyAVYYATCCUCKFFL-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.67
Rot. Bonds3

About 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone

1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone (PubChem CID 113212751) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
PubChem CID113212751
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(c3ccccn3)CC1)cn2C(C)=O
InChIInChI=1S/C21H22N4O3/c1-15(26)25-14-18(17-13-16(28-2)6-7-19(17)25)21(27)24-11-9-23(10-12-24)20-5-3-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyAVYYATCCUCKFFL-UHFFFAOYSA-N
XLogP2.67
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone 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

2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
CID 22549757
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone (CID 113212751) is 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone is COc1ccc2c(c1)c(C(=O)N1CCN(c3ccccn3)CC1)cn2C(C)=O.
What is the InChIKey of 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The InChIKey is AVYYATCCUCKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)25-14-18(17-13-16(28-2)6-7-19(17)25)21(27)24-11-9-23(10-12-24)20-5-3-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone?
1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone has a molecular weight of 378.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 113212751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).