2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C16H21N5O3 — CID 99934293

IUPAC2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(CN1CCC[C@@H](O)C1)NCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C16H21N5O3/c22-12-4-3-9-21(10-12)11-14(23)18-8-6-15-19-16(20-24-15)13-5-1-2-7-17-13/h1-2,5,7,12,22H,3-4,6,8-11H2,(H,18,23)/t12-/m1/s1
InChIKeyIURUHFPHONLEJP-GFCCVEGCSA-N
MW331.38 g/mol
LogP0.25
Rot. Bonds6

About 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 99934293) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID99934293
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(CN1CCC[C@@H](O)C1)NCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C16H21N5O3/c22-12-4-3-9-21(10-12)11-14(23)18-8-6-15-19-16(20-24-15)13-5-1-2-7-17-13/h1-2,5,7,12,22H,3-4,6,8-11H2,(H,18,23)/t12-/m1/s1
InChIKeyIURUHFPHONLEJP-GFCCVEGCSA-N
XLogP0.25
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 166622994
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076
(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 126424696
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 97204454
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
CID 134128002

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 99934293) is 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is O=C(CN1CCC[C@@H](O)C1)NCCc1nc(-c2ccccn2)no1.
What is the InChIKey of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is IURUHFPHONLEJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-12-4-3-9-21(10-12)11-14(23)18-8-6-15-19-16(20-24-15)13-5-1-2-7-17-13/h1-2,5,7,12,22H,3-4,6,8-11H2,(H,18,23)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 99934293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).