(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C23H27N3O — CID 2474635

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1C
InChIInChI=1S/C23H27N3O/c1-15-6-5-7-22(16(15)2)25-10-12-26(13-11-25)23(27)19-8-9-21-20(14-19)17(3)18(4)24-21/h5-9,14,24H,10-13H2,1-4H3
InChIKeyIJYHPISIGXOFPY-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.36
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 2474635) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID2474635
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1C
InChIInChI=1S/C23H27N3O/c1-15-6-5-7-22(16(15)2)25-10-12-26(13-11-25)23(27)19-8-9-21-20(14-19)17(3)18(4)24-21/h5-9,14,24H,10-13H2,1-4H3
InChIKeyIJYHPISIGXOFPY-UHFFFAOYSA-N
XLogP4.36
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 2474635) is (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is IJYHPISIGXOFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-6-5-7-22(16(15)2)25-10-12-26(13-11-25)23(27)19-8-9-21-20(14-19)17(3)18(4)24-21/h5-9,14,24H,10-13H2,1-4H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2474635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).