N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H19N5O3 — CID 104971153

IUPACN-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC(NC(=O)c2noc(C3CCCN3)n2)CCC1=O
InChIInChI=1S/C13H19N5O3/c1-18-7-8(4-5-10(18)19)15-12(20)11-16-13(21-17-11)9-3-2-6-14-9/h8-9,14H,2-7H2,1H3,(H,15,20)
InChIKeyYXTVBGZCQYIWER-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.16
Rot. Bonds3

About N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971153) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971153
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC(NC(=O)c2noc(C3CCCN3)n2)CCC1=O
InChIInChI=1S/C13H19N5O3/c1-18-7-8(4-5-10(18)19)15-12(20)11-16-13(21-17-11)9-3-2-6-14-9/h8-9,14H,2-7H2,1H3,(H,15,20)
InChIKeyYXTVBGZCQYIWER-UHFFFAOYSA-N
XLogP-0.16
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742495
N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970787
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-(2-methylpyrazol-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970897
N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971202
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971153) is N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CN1CC(NC(=O)c2noc(C3CCCN3)n2)CCC1=O.
What is the InChIKey of N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YXTVBGZCQYIWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-18-7-8(4-5-10(18)19)15-12(20)11-16-13(21-17-11)9-3-2-6-14-9/h8-9,14H,2-7H2,1H3,(H,15,20).
What are the key properties of N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).