2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

C12H20N4O3 — CID 99929023

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCN(CCc1ncon1)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C12H20N4O3/c1-15(6-4-11-13-9-19-14-11)12(18)8-16-5-2-3-10(17)7-16/h9-10,17H,2-8H2,1H3/t10-/m0/s1
InChIKeyCFUPQLNJTWIHEW-JTQLQIEISA-N
MW268.32 g/mol
LogP-0.47
Rot. Bonds5

About 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 99929023) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID99929023
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCN(CCc1ncon1)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C12H20N4O3/c1-15(6-4-11-13-9-19-14-11)12(18)8-16-5-2-3-10(17)7-16/h9-10,17H,2-8H2,1H3/t10-/m0/s1
InChIKeyCFUPQLNJTWIHEW-JTQLQIEISA-N
XLogP-0.47
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
1-(2-ethoxyacetyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 118764200
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 91794996
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 124679861
N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 129494486
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
CID 115278433
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 78787306
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]formamide
CID 123875795
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 99929023) is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is CN(CCc1ncon1)C(=O)CN1CCC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is CFUPQLNJTWIHEW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15(6-4-11-13-9-19-14-11)12(18)8-16-5-2-3-10(17)7-16/h9-10,17H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 99929023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).