5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile

C24H28N4O — CID 10150610

IUPAC5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile
SMILESCOc1cccc(N2CCN(CCCc3ccc4[nH]cc(C#N)c4c3)CC2C)c1
InChIInChI=1S/C24H28N4O/c1-18-17-27(11-12-28(18)21-6-3-7-22(14-21)29-2)10-4-5-19-8-9-24-23(13-19)20(15-25)16-26-24/h3,6-9,13-14,16,18,26H,4-5,10-12,17H2,1-2H3
InChIKeyUQALVGIRSOKDSG-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.19
Rot. Bonds6

About 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile

5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile (PubChem CID 10150610) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile
PubChem CID10150610
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile
SMILESCOc1cccc(N2CCN(CCCc3ccc4[nH]cc(C#N)c4c3)CC2C)c1
InChIInChI=1S/C24H28N4O/c1-18-17-27(11-12-28(18)21-6-3-7-22(14-21)29-2)10-4-5-19-8-9-24-23(13-19)20(15-25)16-26-24/h3,6-9,13-14,16,18,26H,4-5,10-12,17H2,1-2H3
InChIKeyUQALVGIRSOKDSG-UHFFFAOYSA-N
XLogP4.19
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
CID 150274574
5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-1H-indole-3-carbonitrile
CID 10193950
3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 19090007
5-[3-[4-([1,2]thiazolo[4,5-c]pyridin-4-yl)piperazin-1-yl]propyl]-1H-indole-3-carbonitrile
CID 67020598
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole
CID 15288327
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide
CID 10150811
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile?
The IUPAC name of 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile (CID 10150610) is 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile?
The canonical SMILES for 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile is COc1cccc(N2CCN(CCCc3ccc4[nH]cc(C#N)c4c3)CC2C)c1.
What is the InChIKey of 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile?
The InChIKey is UQALVGIRSOKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-17-27(11-12-28(18)21-6-3-7-22(14-21)29-2)10-4-5-19-8-9-24-23(13-19)20(15-25)16-26-24/h3,6-9,13-14,16,18,26H,4-5,10-12,17H2,1-2H3.
What are the key properties of 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile?
5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile has a molecular weight of 388.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 10150610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).