[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C22H25N3O2 — CID 4909393

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-15-5-4-6-21(16(15)2)24-9-11-25(12-10-24)22(26)20-13-17-7-8-18(27-3)14-19(17)23-20/h4-8,13-14,23H,9-12H2,1-3H3
InChIKeyIBZRKMKDMSMLHQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.76
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 4909393) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID4909393
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-15-5-4-6-21(16(15)2)24-9-11-25(12-10-24)22(26)20-13-17-7-8-18(27-3)14-19(17)23-20/h4-8,13-14,23H,9-12H2,1-3H3
InChIKeyIBZRKMKDMSMLHQ-UHFFFAOYSA-N
XLogP3.76
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 4909393) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]c2c1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is IBZRKMKDMSMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-5-4-6-21(16(15)2)24-9-11-25(12-10-24)22(26)20-13-17-7-8-18(27-3)14-19(17)23-20/h4-8,13-14,23H,9-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 4909393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).