2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone

C17H26N4O3 — CID 136545882

IUPAC2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone
SMILESCC(=O)c1cn(CC(=O)N2CCC(OCC3CCCC3)CC2)nn1
InChIInChI=1S/C17H26N4O3/c1-13(22)16-10-21(19-18-16)11-17(23)20-8-6-15(7-9-20)24-12-14-4-2-3-5-14/h10,14-15H,2-9,11-12H2,1H3
InChIKeyYSPJSTPKGXUDAQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone

2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone (PubChem CID 136545882) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone
PubChem CID136545882
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone
SMILESCC(=O)c1cn(CC(=O)N2CCC(OCC3CCCC3)CC2)nn1
InChIInChI=1S/C17H26N4O3/c1-13(22)16-10-21(19-18-16)11-17(23)20-8-6-15(7-9-20)24-12-14-4-2-3-5-14/h10,14-15H,2-9,11-12H2,1H3
InChIKeyYSPJSTPKGXUDAQ-UHFFFAOYSA-N
XLogP1.68
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone (CID 136545882) is 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone is CC(=O)c1cn(CC(=O)N2CCC(OCC3CCCC3)CC2)nn1.
What is the InChIKey of 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is YSPJSTPKGXUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(22)16-10-21(19-18-16)11-17(23)20-8-6-15(7-9-20)24-12-14-4-2-3-5-14/h10,14-15H,2-9,11-12H2,1H3.
What are the key properties of 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone?
2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 136545882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).