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

C19H23N5O2 — CID 53192143

IUPAC1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-26-10-7-17-21-18(23-22-17)15-3-2-9-24(12-15)19(25)14-5-4-13-6-8-20-16(13)11-14/h4-6,8,11,15,20H,2-3,7,9-10,12H2,1H3,(H,21,22,23)
InChIKeyDSYCKEUSZWAMPZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.49
Rot. Bonds5

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

1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 53192143) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID53192143
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-26-10-7-17-21-18(23-22-17)15-3-2-9-24(12-15)19(25)14-5-4-13-6-8-20-16(13)11-14/h4-6,8,11,15,20H,2-3,7,9-10,12H2,1H3,(H,21,22,23)
InChIKeyDSYCKEUSZWAMPZ-UHFFFAOYSA-N
XLogP2.49
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 53192143) is 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is COCCc1nc(C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1.
What is the InChIKey of 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is DSYCKEUSZWAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-10-7-17-21-18(23-22-17)15-3-2-9-24(12-15)19(25)14-5-4-13-6-8-20-16(13)11-14/h4-6,8,11,15,20H,2-3,7,9-10,12H2,1H3,(H,21,22,23).
What are the key properties of 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53192143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).