N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide

C16H21N5O3 — CID 71894914

IUPACN-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C16H21N5O3/c1-12(22)17-10-13-5-8-19(9-6-13)15(23)11-21-16(24)20-7-3-2-4-14(20)18-21/h2-4,7,13H,5-6,8-11H2,1H3,(H,17,22)
InChIKeyVJBZXPUNXIMXCH-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.13
Rot. Bonds4

About N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 71894914) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID71894914
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C16H21N5O3/c1-12(22)17-10-13-5-8-19(9-6-13)15(23)11-21-16(24)20-7-3-2-4-14(20)18-21/h2-4,7,13H,5-6,8-11H2,1H3,(H,17,22)
InChIKeyVJBZXPUNXIMXCH-UHFFFAOYSA-N
XLogP-0.13
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119546709
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 119625181
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
2-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 120658991
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 94024374
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102738312
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
2-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115874668
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95573610
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120572077

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide (CID 71894914) is N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1.
What is the InChIKey of N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is VJBZXPUNXIMXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12(22)17-10-13-5-8-19(9-6-13)15(23)11-21-16(24)20-7-3-2-4-14(20)18-21/h2-4,7,13H,5-6,8-11H2,1H3,(H,17,22).
What are the key properties of N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71894914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).