2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole

C23H23Cl2N5 — CID 162364860

IUPAC2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESClc1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5[nH]4)n[nH]3)CC2)cc1Cl
InChIInChI=1S/C23H23Cl2N5/c24-18-6-5-16(12-19(18)25)11-15-7-9-30(10-8-15)14-22-27-23(29-28-22)21-13-17-3-1-2-4-20(17)26-21/h1-6,12-13,15,26H,7-11,14H2,(H,27,28,29)
InChIKeyPTZHRAKUKFUXCY-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.71
Rot. Bonds5

About 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole

2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 162364860) has the molecular formula C23H23Cl2N5 and a molecular weight of 440.38 g/mol. Its IUPAC name is 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID162364860
Molecular FormulaC23H23Cl2N5
Molecular Weight440.38 g/mol
Exact Mass439.13
IUPAC Name2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESClc1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5[nH]4)n[nH]3)CC2)cc1Cl
InChIInChI=1S/C23H23Cl2N5/c24-18-6-5-16(12-19(18)25)11-15-7-9-30(10-8-15)14-22-27-23(29-28-22)21-13-17-3-1-2-4-20(17)26-21/h1-6,12-13,15,26H,7-11,14H2,(H,27,28,29)
InChIKeyPTZHRAKUKFUXCY-UHFFFAOYSA-N
XLogP5.71
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole with MolForge

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Related Compounds

2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole
CID 162364827
2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-1H-indol-5-amine
CID 162364831
4-[(3,4-dichlorophenyl)methyl]-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364899
4-benzyl-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364883
4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364901
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
[2-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-3-methylphenyl]urea
CID 142000870
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole (CID 162364860) is 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole is Clc1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5[nH]4)n[nH]3)CC2)cc1Cl.
What is the InChIKey of 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is PTZHRAKUKFUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5/c24-18-6-5-16(12-19(18)25)11-15-7-9-30(10-8-15)14-22-27-23(29-28-22)21-13-17-3-1-2-4-20(17)26-21/h1-6,12-13,15,26H,7-11,14H2,(H,27,28,29).
What are the key properties of 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole?
2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 440.38 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 162364860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).