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

C23H27N3O — CID 31282088

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1
InChIInChI=1S/C23H27N3O/c1-16-5-4-6-19(13-16)15-25-9-11-26(12-10-25)23(27)20-7-8-22-21(14-20)17(2)18(3)24-22/h4-8,13-14,24H,9-12,15H2,1-3H3
InChIKeyGAWFOFBVMMLMPM-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.05
Rot. Bonds3

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

(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 31282088) 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-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID31282088
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1
InChIInChI=1S/C23H27N3O/c1-16-5-4-6-19(13-16)15-25-9-11-26(12-10-25)23(27)20-7-8-22-21(14-20)17(2)18(3)24-22/h4-8,13-14,24H,9-12,15H2,1-3H3
InChIKeyGAWFOFBVMMLMPM-UHFFFAOYSA-N
XLogP4.05
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.05
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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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
(4-benzylsulfonylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 17406284
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 70779876
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone
CID 70767557
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46612490
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 31282088) is (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is GAWFOFBVMMLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-5-4-6-19(13-16)15-25-9-11-26(12-10-25)23(27)20-7-8-22-21(14-20)17(2)18(3)24-22/h4-8,13-14,24H,9-12,15H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 4.05, 3 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-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 31282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).