1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone

C22H25N3O2 — CID 3641786

IUPAC1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2C)cc1
InChIInChI=1S/C22H25N3O2/c1-16-14-24(11-12-25(16)17-7-9-18(27-2)10-8-17)15-22(26)20-13-23-21-6-4-3-5-19(20)21/h3-10,13,16,23H,11-12,14-15H2,1-2H3
InChIKeyULPMNMFZZBUSCS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds5

About 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone

1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 3641786) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
PubChem CID3641786
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2C)cc1
InChIInChI=1S/C22H25N3O2/c1-16-14-24(11-12-25(16)17-7-9-18(27-2)10-8-17)15-22(26)20-13-23-21-6-4-3-5-19(20)21/h3-10,13,16,23H,11-12,14-15H2,1-2H3
InChIKeyULPMNMFZZBUSCS-UHFFFAOYSA-N
XLogP3.57
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 55829396
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone (CID 3641786) is 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone is COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2C)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is ULPMNMFZZBUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-14-24(11-12-25(16)17-7-9-18(27-2)10-8-17)15-22(26)20-13-23-21-6-4-3-5-19(20)21/h3-10,13,16,23H,11-12,14-15H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 363.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 3641786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).