1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole

C22H23N5 — CID 18796598

IUPAC1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole
SMILESc1ccc(CN2CCC(n3ccc4ccc(-n5cnnc5)cc43)CC2)cc1
InChIInChI=1S/C22H23N5/c1-2-4-18(5-3-1)15-25-11-9-20(10-12-25)27-13-8-19-6-7-21(14-22(19)27)26-16-23-24-17-26/h1-8,13-14,16-17,20H,9-12,15H2
InChIKeyLSMBIYJOXNNNPU-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.06
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole

1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole (PubChem CID 18796598) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole
PubChem CID18796598
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole
SMILESc1ccc(CN2CCC(n3ccc4ccc(-n5cnnc5)cc43)CC2)cc1
InChIInChI=1S/C22H23N5/c1-2-4-18(5-3-1)15-25-11-9-20(10-12-25)27-13-8-19-6-7-21(14-22(19)27)26-16-23-24-17-26/h1-8,13-14,16-17,20H,9-12,15H2
InChIKeyLSMBIYJOXNNNPU-UHFFFAOYSA-N
XLogP4.06
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-methyl-6-(1,2,4-triazol-4-yl)indole;dihydrochloride
CID 18796599
1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole
CID 18796514
4-(1-benzylpiperidin-4-yl)-1H-1,2,4-triazole-5-thione
CID 29064621
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzylpiperidin-4-yl)quinolin-2-one
CID 14969566
3-[4-[(4-indol-1-ylpiperidin-1-yl)methyl]phenyl]-6-(2-methyltetrazol-5-yl)-2-phenylquinoxaline
CID 21103139
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
CID 174406031
1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
CID 23377416
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole (CID 18796598) is 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole is c1ccc(CN2CCC(n3ccc4ccc(-n5cnnc5)cc43)CC2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole?
The InChIKey is LSMBIYJOXNNNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-4-18(5-3-1)15-25-11-9-20(10-12-25)27-13-8-19-6-7-21(14-22(19)27)26-16-23-24-17-26/h1-8,13-14,16-17,20H,9-12,15H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole?
1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole has a molecular weight of 357.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole is sourced from PubChem (CID 18796598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).