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

C24H28N6 — CID 30869108

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCn1ncnc1CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3
InChIKeyQPCOLOVNTNGFAH-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.76
Rot. Bonds6

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

1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 30869108) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID30869108
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCn1ncnc1CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3
InChIKeyQPCOLOVNTNGFAH-UHFFFAOYSA-N
XLogP3.76
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 30869108) is 1-[3-(1H-indol-2-yl)phenyl]-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)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is Cn1ncnc1CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is QPCOLOVNTNGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
1-[3-(1H-indol-2-yl)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 400.53 g/mol, XLogP of 3.76, 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)phenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 30869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).