(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one

C9H14N4O — CID 164725953

IUPAC(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESC[C@H]1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKeyIDEAYDDXFVRTIF-UUEFVBAFSA-N
MW194.24 g/mol
LogP0.20
Rot. Bonds1

About (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one

(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one (PubChem CID 164725953) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
PubChem CID164725953
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESC[C@H]1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKeyIDEAYDDXFVRTIF-UUEFVBAFSA-N
XLogP0.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 163506754
2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175445816
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
CID 82401919
tert-butyl (2S,6S)-6-methyl-4-oxo-2-[1-(trideuterio(113C)methyl)triazol-4-yl]piperidine-3-carboxylate;bis((2S,6S)-2-methyl-6-[1-(trideuterio(113C)methyl)triazol-4-yl]piperidin-4-one)
CID 165042004
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
4-(1-methyltriazol-4-yl)piperidine-2,6-dione
CID 130599132
4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
CID 130599104
(2'S,3S,6'S)-2',6-dimethyl-6'-(1-methyltriazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 168912651
2,6-dimethylpiperidin-4-one
CID 11040712
(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108183
cis-(3S,5R)-3-methyl-5-(1-methyltriazol-4-yl)-4-prop-2-enylcyclohexan-1-one
CID 177071389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The IUPAC name of (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one (CID 164725953) is (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one.
What is the SMILES notation for (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The canonical SMILES for (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one is C[C@H]1CC(=O)CC(c2cn(C)nn2)N1.
What is the InChIKey of (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The InChIKey is IDEAYDDXFVRTIF-UUEFVBAFSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3/t6-,8?/m0/s1.
What are the key properties of (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one is sourced from PubChem (CID 164725953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).