2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide

C17H21N5O3 — CID 166251293

IUPAC2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide
SMILESO=C(Cn1cc(CN2CCCCC2=O)nn1)NOCc1ccccc1
InChIInChI=1S/C17H21N5O3/c23-16(19-25-13-14-6-2-1-3-7-14)12-22-11-15(18-20-22)10-21-9-5-4-8-17(21)24/h1-3,6-7,11H,4-5,8-10,12-13H2,(H,19,23)
InChIKeyDPADKKGBHCRSLD-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.04
Rot. Bonds7

About 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide

2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide (PubChem CID 166251293) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide
PubChem CID166251293
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide
SMILESO=C(Cn1cc(CN2CCCCC2=O)nn1)NOCc1ccccc1
InChIInChI=1S/C17H21N5O3/c23-16(19-25-13-14-6-2-1-3-7-14)12-22-11-15(18-20-22)10-21-9-5-4-8-17(21)24/h1-3,6-7,11H,4-5,8-10,12-13H2,(H,19,23)
InChIKeyDPADKKGBHCRSLD-UHFFFAOYSA-N
XLogP1.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
(E)-3-(1-benzyltriazol-4-yl)-N'-[2-(2-oxoazepan-1-yl)acetyl]prop-2-enehydrazide
CID 9093077
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one
CID 90729389
2-(2,5-dioxoimidazolidin-1-yl)-N-phenylmethoxyacetamide
CID 60668288
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30767142
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate
CID 166251424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide?
The IUPAC name of 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide (CID 166251293) is 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide is O=C(Cn1cc(CN2CCCCC2=O)nn1)NOCc1ccccc1.
What is the InChIKey of 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide?
The InChIKey is DPADKKGBHCRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-16(19-25-13-14-6-2-1-3-7-14)12-22-11-15(18-20-22)10-21-9-5-4-8-17(21)24/h1-3,6-7,11H,4-5,8-10,12-13H2,(H,19,23).
What are the key properties of 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide?
2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide has a molecular weight of 343.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 166251293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).