(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone

C10H16N4O — CID 110691356

IUPAC(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cnn(C)n2)CC1
InChIInChI=1S/C10H16N4O/c1-8-3-5-14(6-4-8)10(15)9-7-11-13(2)12-9/h7-8H,3-6H2,1-2H3
InChIKeyWEMOQQDDMLJGLM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone

(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 110691356) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID110691356
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cnn(C)n2)CC1
InChIInChI=1S/C10H16N4O/c1-8-3-5-14(6-4-8)10(15)9-7-11-13(2)12-9/h7-8H,3-6H2,1-2H3
InChIKeyWEMOQQDDMLJGLM-UHFFFAOYSA-N
XLogP0.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
CID 110691366
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl-(4-methylpiperidin-1-yl)methanone
CID 71838110
[2-(diethylamino)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323152
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone (CID 110691356) is (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone is CC1CCN(C(=O)c2cnn(C)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is WEMOQQDDMLJGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-3-5-14(6-4-8)10(15)9-7-11-13(2)12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone?
(4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 110691356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).