6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole

C19H25N5O — CID 53192097

IUPAC6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole
SMILESCOCCc1nc(C2CCCN(Cc3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C19H25N5O/c1-25-10-7-18-21-19(23-22-18)16-3-2-9-24(13-16)12-14-4-5-15-6-8-20-17(15)11-14/h4-6,8,11,16,20H,2-3,7,9-10,12-13H2,1H3,(H,21,22,23)
InChIKeyKLNIUMDWNQFJPE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.85
Rot. Bonds6

About 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole

6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole (PubChem CID 53192097) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole
PubChem CID53192097
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole
SMILESCOCCc1nc(C2CCCN(Cc3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C19H25N5O/c1-25-10-7-18-21-19(23-22-18)16-3-2-9-24(13-16)12-14-4-5-15-6-8-20-17(15)11-14/h4-6,8,11,16,20H,2-3,7,9-10,12-13H2,1H3,(H,21,22,23)
InChIKeyKLNIUMDWNQFJPE-UHFFFAOYSA-N
XLogP2.85
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole (CID 53192097) is 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole is COCCc1nc(C2CCCN(Cc3ccc4cc[nH]c4c3)C2)n[nH]1.
What is the InChIKey of 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole?
The InChIKey is KLNIUMDWNQFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-25-10-7-18-21-19(23-22-18)16-3-2-9-24(13-16)12-14-4-5-15-6-8-20-17(15)11-14/h4-6,8,11,16,20H,2-3,7,9-10,12-13H2,1H3,(H,21,22,23).
What are the key properties of 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole?
6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole has a molecular weight of 339.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 53192097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).