2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C24H29N3O — CID 113211573

IUPAC2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)(C)c3c(C)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O/c1-17-8-7-9-19(16-17)26-12-14-27(15-13-26)23(28)24(3,4)22-18(2)25-21-11-6-5-10-20(21)22/h5-11,16,25H,12-15H2,1-4H3
InChIKeyJIESZASEOYWMDB-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.41
Rot. Bonds3

About 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 113211573) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID113211573
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)(C)c3c(C)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O/c1-17-8-7-9-19(16-17)26-12-14-27(15-13-26)23(28)24(3,4)22-18(2)25-21-11-6-5-10-20(21)22/h5-11,16,25H,12-15H2,1-4H3
InChIKeyJIESZASEOYWMDB-UHFFFAOYSA-N
XLogP4.41
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one
CID 113211563
2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108961842
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 99283424
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
CID 108957034
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(1-phenylethyl)propanamide
CID 108962129
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 113211573) is 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)C(C)(C)c3c(C)[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is JIESZASEOYWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17-8-7-9-19(16-17)26-12-14-27(15-13-26)23(28)24(3,4)22-18(2)25-21-11-6-5-10-20(21)22/h5-11,16,25H,12-15H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 375.52 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113211573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).