(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

C10H16N4O2 — CID 102963897

IUPAC(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCOC1CCCN(C(=O)c2n[nH]c(C)n2)C1
InChIInChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)10(15)14-5-3-4-8(6-14)16-2/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyLXAROMONBOHOLA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds2

About (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 102963897) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID102963897
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCOC1CCCN(C(=O)c2n[nH]c(C)n2)C1
InChIInChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)10(15)14-5-3-4-8(6-14)16-2/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyLXAROMONBOHOLA-UHFFFAOYSA-N
XLogP0.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone
CID 130522636
5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 102970876
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
[(3aR,7aS)-5-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 167866455
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 130825736
(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879026
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (CID 102963897) is (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is COC1CCCN(C(=O)c2n[nH]c(C)n2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is LXAROMONBOHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)10(15)14-5-3-4-8(6-14)16-2/h8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 102963897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).