1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone

C15H22N6O2 — CID 166319003

IUPAC1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1Cc1cn(CCO)nn1
InChIInChI=1S/C15H22N6O2/c22-8-7-20-10-13(17-18-20)9-14-3-1-2-5-21(14)15(23)11-19-6-4-16-12-19/h4,6,10,12,14,22H,1-3,5,7-9,11H2
InChIKeyLAYIUZLDLPCIHO-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.09
Rot. Bonds6

About 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone

1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 166319003) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID166319003
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1Cc1cn(CCO)nn1
InChIInChI=1S/C15H22N6O2/c22-8-7-20-10-13(17-18-20)9-14-3-1-2-5-21(14)15(23)11-19-6-4-16-12-19/h4,6,10,12,14,22H,1-3,5,7-9,11H2
InChIKeyLAYIUZLDLPCIHO-UHFFFAOYSA-N
XLogP0.09
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone (CID 166319003) is 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCCCC1Cc1cn(CCO)nn1.
What is the InChIKey of 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is LAYIUZLDLPCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c22-8-7-20-10-13(17-18-20)9-14-3-1-2-5-21(14)15(23)11-19-6-4-16-12-19/h4,6,10,12,14,22H,1-3,5,7-9,11H2.
What are the key properties of 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 318.38 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 166319003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).