cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

C16H26N4O2 — CID 46985353

IUPACcyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)C3CCCC3)CC2)nn1
InChIInChI=1S/C16H26N4O2/c1-16(2,22)14-11-20(18-17-14)13-7-9-19(10-8-13)15(21)12-5-3-4-6-12/h11-13,22H,3-10H2,1-2H3
InChIKeyYOHLEJKLENOHGJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.86
Rot. Bonds3

About cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46985353) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46985353
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Namecyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)C3CCCC3)CC2)nn1
InChIInChI=1S/C16H26N4O2/c1-16(2,22)14-11-20(18-17-14)13-7-9-19(10-8-13)15(21)12-5-3-4-6-12/h11-13,22H,3-10H2,1-2H3
InChIKeyYOHLEJKLENOHGJ-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46992366
[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46985698
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
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 46992385
2-[1-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 31134247
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 29254785
methyl 2-(1-cyclohexyltriazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 166341681
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
CID 128991055

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 46985353) is cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is CC(C)(O)c1cn(C2CCN(C(=O)C3CCCC3)CC2)nn1.
What is the InChIKey of cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is YOHLEJKLENOHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,22)14-11-20(18-17-14)13-7-9-19(10-8-13)15(21)12-5-3-4-6-12/h11-13,22H,3-10H2,1-2H3.
What are the key properties of cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46985353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).