1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one

C18H21N5O2 — CID 128981803

IUPAC1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C18H21N5O2/c24-17(7-11-22-10-6-14-4-1-2-5-15(14)22)23-9-3-8-18(25,13-23)16-12-19-21-20-16/h1-2,4-6,10,12,25H,3,7-9,11,13H2,(H,19,20,21)
InChIKeyMAHDFKYVZUTBTR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.66
Rot. Bonds4

About 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one

1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one (PubChem CID 128981803) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
PubChem CID128981803
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C18H21N5O2/c24-17(7-11-22-10-6-14-4-1-2-5-15(14)22)23-9-3-8-18(25,13-23)16-12-19-21-20-16/h1-2,4-6,10,12,25H,3,7-9,11,13H2,(H,19,20,21)
InChIKeyMAHDFKYVZUTBTR-UHFFFAOYSA-N
XLogP1.66
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one (CID 128981803) is 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one is O=C(CCn1ccc2ccccc21)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one?
The InChIKey is MAHDFKYVZUTBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(7-11-22-10-6-14-4-1-2-5-15(14)22)23-9-3-8-18(25,13-23)16-12-19-21-20-16/h1-2,4-6,10,12,25H,3,7-9,11,13H2,(H,19,20,21).
What are the key properties of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one?
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one has a molecular weight of 339.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 128981803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).