2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide

C12H21N5O2 — CID 110226461

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
SMILESCCN1CCCCC1CNC(=O)Cc1nonc1N
InChIInChI=1S/C12H21N5O2/c1-2-17-6-4-3-5-9(17)8-14-11(18)7-10-12(13)16-19-15-10/h9H,2-8H2,1H3,(H2,13,16)(H,14,18)
InChIKeyNDFYETVNLGJUQG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.18
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide (PubChem CID 110226461) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
PubChem CID110226461
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
SMILESCCN1CCCCC1CNC(=O)Cc1nonc1N
InChIInChI=1S/C12H21N5O2/c1-2-17-6-4-3-5-9(17)8-14-11(18)7-10-12(13)16-19-15-10/h9H,2-8H2,1H3,(H2,13,16)(H,14,18)
InChIKeyNDFYETVNLGJUQG-UHFFFAOYSA-N
XLogP0.18
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 51595414
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 71708054
N-[(1-ethylazepan-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 67703253
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
CID 95765263
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide (CID 110226461) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide is CCN1CCCCC1CNC(=O)Cc1nonc1N.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The InChIKey is NDFYETVNLGJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-17-6-4-3-5-9(17)8-14-11(18)7-10-12(13)16-19-15-10/h9H,2-8H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 110226461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).