1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

C25H30N6 — CID 140939162

IUPAC1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C25H30N6/c1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-8,15-17,20,26,29H,9-14H2,1-2H3
InChIKeySBDKQFWGKAFDED-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.07
Rot. Bonds6

About 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 140939162) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID140939162
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C25H30N6/c1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-8,15-17,20,26,29H,9-14H2,1-2H3
InChIKeySBDKQFWGKAFDED-UHFFFAOYSA-N
XLogP4.07
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939080
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 140939060
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 146536104
2-[2-methyl-5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939093
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 165045133
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 70048466
1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31054711
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 140939162) is 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is Cc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is SBDKQFWGKAFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-8,15-17,20,26,29H,9-14H2,1-2H3.
What are the key properties of 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 414.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 140939162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).