cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C17H28N4O2 — CID 46986620

IUPACcycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H28N4O2/c22-13-16-12-21(19-18-16)11-14-7-9-20(10-8-14)17(23)15-5-3-1-2-4-6-15/h12,14-15,22H,1-11,13H2
InChIKeyKEOTXFPUMAILQC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.98
Rot. Bonds4

About cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 46986620) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID46986620
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Namecycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H28N4O2/c22-13-16-12-21(19-18-16)11-14-7-9-20(10-8-14)17(23)15-5-3-1-2-4-6-15/h12,14-15,22H,1-11,13H2
InChIKeyKEOTXFPUMAILQC-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
CID 46987392
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 31193716
[(3S)-3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-cycloheptylmethanone
CID 95047345
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 46997721
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 45180063
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 46993018

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 46986620) is cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is O=C(C1CCCCCC1)N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is KEOTXFPUMAILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-13-16-12-21(19-18-16)11-14-7-9-20(10-8-14)17(23)15-5-3-1-2-4-6-15/h12,14-15,22H,1-11,13H2.
What are the key properties of cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46986620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).