(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H22N4O2 — CID 102963839

IUPAC(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2n[nH]c(C(C)(C)C)n2)CC1O
InChIInChI=1S/C13H22N4O2/c1-8-5-6-17(7-9(8)18)11(19)10-14-12(16-15-10)13(2,3)4/h8-9,18H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOZXNUBAUUVBYJM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.95
Rot. Bonds1

About (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102963839) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102963839
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2n[nH]c(C(C)(C)C)n2)CC1O
InChIInChI=1S/C13H22N4O2/c1-8-5-6-17(7-9(8)18)11(19)10-14-12(16-15-10)13(2,3)4/h8-9,18H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOZXNUBAUUVBYJM-UHFFFAOYSA-N
XLogP0.95
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
5-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid
CID 55263666
(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102963862
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 102958607
(6-hydrazinyl-2-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971064
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
(6-aminopyrazin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 114036117
1-(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197680
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102963839) is (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2n[nH]c(C(C)(C)C)n2)CC1O.
What is the InChIKey of (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is OZXNUBAUUVBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-5-6-17(7-9(8)18)11(19)10-14-12(16-15-10)13(2,3)4/h8-9,18H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102963839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).