1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C19H23N5O — CID 53192133

IUPAC1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1nc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-2-17-21-19(23-22-17)13-6-5-9-24(12-13)18(25)10-14-11-20-16-8-4-3-7-15(14)16/h3-4,7-8,11,13,20H,2,5-6,9-10,12H2,1H3,(H,21,22,23)
InChIKeyMBYRGDVSBZQJCT-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 53192133) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID53192133
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1nc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-2-17-21-19(23-22-17)13-6-5-9-24(12-13)18(25)10-14-11-20-16-8-4-3-7-15(14)16/h3-4,7-8,11,13,20H,2,5-6,9-10,12H2,1H3,(H,21,22,23)
InChIKeyMBYRGDVSBZQJCT-UHFFFAOYSA-N
XLogP2.80
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 53192133) is 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is CCc1nc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n[nH]1.
What is the InChIKey of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is MBYRGDVSBZQJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-17-21-19(23-22-17)13-6-5-9-24(12-13)18(25)10-14-11-20-16-8-4-3-7-15(14)16/h3-4,7-8,11,13,20H,2,5-6,9-10,12H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 337.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 53192133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).