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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Related Compounds

1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 167904925
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 167977497
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 128981838
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 128981368
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
CID 36615779
2-indol-1-yl-1-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134708113
[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 129484688
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167897458
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 128981311
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 128981400
6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174857

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).