2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride

C15H23Cl2N5O — CID 119836844

IUPAC2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-11(15-19-18-13-4-2-3-9-20(13)15)17-14(21)10-12-5-7-16-8-6-12;;/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,17,21);2*1H
InChIKeyMRFFMMOVZBMFCQ-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.14
Rot. Bonds4

About 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride

2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119836844) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
PubChem CID119836844
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC Name2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-11(15-19-18-13-4-2-3-9-20(13)15)17-14(21)10-12-5-7-16-8-6-12;;/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,17,21);2*1H
InChIKeyMRFFMMOVZBMFCQ-UHFFFAOYSA-N
XLogP2.14
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866
2-morpholin-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 66435338
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 102777774
2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 133141907
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
CID 119836867
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride (CID 119836844) is 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride is CC(NC(=O)CC1CCNCC1)c1nnc2ccccn12.Cl.Cl.
What is the InChIKey of 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is MRFFMMOVZBMFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-11(15-19-18-13-4-2-3-9-20(13)15)17-14(21)10-12-5-7-16-8-6-12;;/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,17,21);2*1H.
What are the key properties of 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride?
2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119836844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).