3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one

C10H16N4O2 — CID 106421356

IUPAC3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
SMILESCc1noc(CCN2CCCC(N)C2=O)n1
InChIInChI=1S/C10H16N4O2/c1-7-12-9(16-13-7)4-6-14-5-2-3-8(11)10(14)15/h8H,2-6,11H2,1H3
InChIKeyHGPWTSSTTQHPCA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.13
Rot. Bonds3

About 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one

3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one (PubChem CID 106421356) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
PubChem CID106421356
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
SMILESCc1noc(CCN2CCCC(N)C2=O)n1
InChIInChI=1S/C10H16N4O2/c1-7-12-9(16-13-7)4-6-14-5-2-3-8(11)10(14)15/h8H,2-6,11H2,1H3
InChIKeyHGPWTSSTTQHPCA-UHFFFAOYSA-N
XLogP-0.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
4-[4-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-2-one
CID 45817506
N-(cyclopropylmethyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 45826763
4-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-2-one
CID 53519930
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 53586204
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56913488
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 56916443
3-(3-{[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino}pyrrolidin-1-yl)-1-(piperidin-1-yl)propan-1-one
CID 72122895
4-[2-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 75462042
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 54592652
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)-N-methylacetamide
CID 56911788

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one (CID 106421356) is 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one is Cc1noc(CCN2CCCC(N)C2=O)n1.
What is the InChIKey of 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one?
The InChIKey is HGPWTSSTTQHPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-12-9(16-13-7)4-6-14-5-2-3-8(11)10(14)15/h8H,2-6,11H2,1H3.
What are the key properties of 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one?
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 106421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).