N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide

C12H19N5O2 — CID 119075119

IUPACN-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC(=O)N1CCCC(CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H19N5O2/c1-10(18)16-5-2-3-11(8-16)7-13-12(19)9-17-6-4-14-15-17/h4,6,11H,2-3,5,7-9H2,1H3,(H,13,19)
InChIKeyXGRCVIQAIIIYRW-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.35
Rot. Bonds4

About N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide

N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide (PubChem CID 119075119) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
PubChem CID119075119
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC(=O)N1CCCC(CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H19N5O2/c1-10(18)16-5-2-3-11(8-16)7-13-12(19)9-17-6-4-14-15-17/h4,6,11H,2-3,5,7-9H2,1H3,(H,13,19)
InChIKeyXGRCVIQAIIIYRW-UHFFFAOYSA-N
XLogP-0.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 166289427
N-(2-bicyclo[2.2.2]oct-5-enylmethyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 128868999
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 177056527
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide (CID 119075119) is N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide is CC(=O)N1CCCC(CNC(=O)Cn2ccnn2)C1.
What is the InChIKey of N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is XGRCVIQAIIIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-10(18)16-5-2-3-11(8-16)7-13-12(19)9-17-6-4-14-15-17/h4,6,11H,2-3,5,7-9H2,1H3,(H,13,19).
What are the key properties of N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide?
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 119075119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).