[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

C13H22N4O3 — CID 82691290

IUPAC[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCC(OCCO)CC2)n[nH]1
InChIInChI=1S/C13H22N4O3/c1-9(2)11-14-12(16-15-11)13(19)17-5-3-10(4-6-17)20-8-7-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyLHWGPFKXMOJMBL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.54
Rot. Bonds5

About [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 82691290) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID82691290
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCC(OCCO)CC2)n[nH]1
InChIInChI=1S/C13H22N4O3/c1-9(2)11-14-12(16-15-11)13(19)17-5-3-10(4-6-17)20-8-7-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyLHWGPFKXMOJMBL-UHFFFAOYSA-N
XLogP0.54
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102963862
5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 82016344
(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745147
[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 115315127
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102679903
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (CID 82691290) is [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is CC(C)c1nc(C(=O)N2CCC(OCCO)CC2)n[nH]1.
What is the InChIKey of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is LHWGPFKXMOJMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)11-14-12(16-15-11)13(19)17-5-3-10(4-6-17)20-8-7-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 82691290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).