(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C21H23N3O — CID 27041838

IUPAC(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C21H23N3O/c1-16-6-5-7-17(14-16)23-10-12-24(13-11-23)21(25)19-15-22(2)20-9-4-3-8-18(19)20/h3-9,14-15H,10-13H2,1-2H3
InChIKeyWGQHLQKGEVMTGO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.45
Rot. Bonds2

About (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 27041838) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID27041838
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C21H23N3O/c1-16-6-5-7-17(14-16)23-10-12-24(13-11-23)21(25)19-15-22(2)20-9-4-3-8-18(19)20/h3-9,14-15H,10-13H2,1-2H3
InChIKeyWGQHLQKGEVMTGO-UHFFFAOYSA-N
XLogP3.45
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110854226
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 27041838) is (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1.
What is the InChIKey of (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is WGQHLQKGEVMTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-6-5-7-17(14-16)23-10-12-24(13-11-23)21(25)19-15-22(2)20-9-4-3-8-18(19)20/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 27041838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).