2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide

C17H22N4O2 — CID 133482694

IUPAC2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O2/c1-12(2)15(22)18-14-9-6-10-21(11-14)17-19-16(23-20-17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,22)
InChIKeyATOPJVOONNWPQU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide

2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide (PubChem CID 133482694) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
PubChem CID133482694
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O2/c1-12(2)15(22)18-14-9-6-10-21(11-14)17-19-16(23-20-17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,22)
InChIKeyATOPJVOONNWPQU-UHFFFAOYSA-N
XLogP2.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 118788409
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
CID 70726722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide (CID 133482694) is 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide is CC(C)C(=O)NC1CCCN(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide?
The InChIKey is ATOPJVOONNWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)15(22)18-14-9-6-10-21(11-14)17-19-16(23-20-17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,22).
What are the key properties of 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).