N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide

C12H21N5O — CID 166289427

IUPACN-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CNCC(CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H21N5O/c1-12(2)5-10(6-13-9-12)7-14-11(18)8-17-4-3-15-16-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,18)
InChIKeyWKZCEYKBQZJEGK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.03
Rot. Bonds4

About N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide

N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide (PubChem CID 166289427) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
PubChem CID166289427
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CNCC(CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H21N5O/c1-12(2)5-10(6-13-9-12)7-14-11(18)8-17-4-3-15-16-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,18)
InChIKeyWKZCEYKBQZJEGK-UHFFFAOYSA-N
XLogP0.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 103548678
2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 119059577
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
CID 103825183
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide (CID 166289427) is N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide is CC1(C)CNCC(CNC(=O)Cn2ccnn2)C1.
What is the InChIKey of N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is WKZCEYKBQZJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)5-10(6-13-9-12)7-14-11(18)8-17-4-3-15-16-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,18).
What are the key properties of N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 166289427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).