1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

C18H21N5O3 — CID 51503012

IUPAC1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H21N5O3/c24-15-7-4-10-23(15)12-16(25)22-9-3-5-13(11-22)17-20-18(26-21-17)14-6-1-2-8-19-14/h1-2,6,8,13H,3-5,7,9-12H2/t13-/m1/s1
InChIKeyFAPUWXHFMAFREN-CYBMUJFWSA-N
MW355.40 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 51503012) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID51503012
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H21N5O3/c24-15-7-4-10-23(15)12-16(25)22-9-3-5-13(11-22)17-20-18(26-21-17)14-6-1-2-8-19-14/h1-2,6,8,13H,3-5,7,9-12H2/t13-/m1/s1
InChIKeyFAPUWXHFMAFREN-CYBMUJFWSA-N
XLogP1.46
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 46965540
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 51501232
2-(2-fluorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91915243
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110263373
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124956032
1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124959482

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 51503012) is 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FAPUWXHFMAFREN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-15-7-4-10-23(15)12-16(25)22-9-3-5-13(11-22)17-20-18(26-21-17)14-6-1-2-8-19-14/h1-2,6,8,13H,3-5,7,9-12H2/t13-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 51503012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).