3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

C18H30N4O2 — CID 46992366

IUPAC3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1
InChIInChI=1S/C18H30N4O2/c1-18(2,24)16-13-22(20-19-16)15-9-11-21(12-10-15)17(23)8-7-14-5-3-4-6-14/h13-15,24H,3-12H2,1-2H3
InChIKeyGLFYCEOPSDIWRG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.64
Rot. Bonds5

About 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 46992366) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID46992366
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1
InChIInChI=1S/C18H30N4O2/c1-18(2,24)16-13-22(20-19-16)15-9-11-21(12-10-15)17(23)8-7-14-5-3-4-6-14/h13-15,24H,3-12H2,1-2H3
InChIKeyGLFYCEOPSDIWRG-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 46999292
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46985698
1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 167905746
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 164632750
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
1-[(3S)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26338863
1-[1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45239626

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (CID 46992366) is 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)(O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1.
What is the InChIKey of 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GLFYCEOPSDIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,24)16-13-22(20-19-16)15-9-11-21(12-10-15)17(23)8-7-14-5-3-4-6-14/h13-15,24H,3-12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46992366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).