1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide

C13H19N5O3 — CID 104970814

IUPAC1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H19N5O3/c14-10(19)9-5-1-2-7-18(9)13(20)11-16-12(21-17-11)8-4-3-6-15-8/h8-9,15H,1-7H2,(H2,14,19)
InChIKeyXSXRIGNNYCFMBW-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.03
Rot. Bonds3

About 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide

1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide (PubChem CID 104970814) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide
PubChem CID104970814
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H19N5O3/c14-10(19)9-5-1-2-7-18(9)13(20)11-16-12(21-17-11)8-4-3-6-15-8/h8-9,15H,1-7H2,(H2,14,19)
InChIKeyXSXRIGNNYCFMBW-UHFFFAOYSA-N
XLogP-0.03
TPSA114.35 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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971158
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971174
[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 102742571
(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971307
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971272
(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971095
(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 103532991
(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104970806
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
(4-hydroxy-4-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 107404418
(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971111
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide (CID 104970814) is 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is XSXRIGNNYCFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-10(19)9-5-1-2-7-18(9)13(20)11-16-12(21-17-11)8-4-3-6-15-8/h8-9,15H,1-7H2,(H2,14,19).
What are the key properties of 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide?
1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 104970814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).