2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone

C13H23N5O2 — CID 66206840

IUPAC2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
SMILESCOCCNCc1cn(CC(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H23N5O2/c1-20-8-5-14-9-12-10-18(16-15-12)11-13(19)17-6-3-2-4-7-17/h10,14H,2-9,11H2,1H3
InChIKeyPTHFMIHMEACUFO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.03
Rot. Bonds7

About 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone

2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 66206840) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID66206840
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
SMILESCOCCNCc1cn(CC(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H23N5O2/c1-20-8-5-14-9-12-10-18(16-15-12)11-13(19)17-6-3-2-4-7-17/h10,14H,2-9,11H2,1H3
InChIKeyPTHFMIHMEACUFO-UHFFFAOYSA-N
XLogP0.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
CID 66193160
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193921
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192663
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
methyl 2-[4-[[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]methyl]triazol-1-yl]acetate
CID 119994918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone (CID 66206840) is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone is COCCNCc1cn(CC(=O)N2CCCCC2)nn1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is PTHFMIHMEACUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-20-8-5-14-9-12-10-18(16-15-12)11-13(19)17-6-3-2-4-7-17/h10,14H,2-9,11H2,1H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone?
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 66206840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).