2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C24H27N5O2 — CID 86888454

IUPAC2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C24H27N5O2/c30-24(21(28-14-6-7-15-28)18-8-2-1-3-9-18)29-16-11-19(12-17-29)23-26-22(27-31-23)20-10-4-5-13-25-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2
InChIKeyNNTSLJOYGFMJSJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.67
Rot. Bonds5

About 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 86888454) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID86888454
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C24H27N5O2/c30-24(21(28-14-6-7-15-28)18-8-2-1-3-9-18)29-16-11-19(12-17-29)23-26-22(27-31-23)20-10-4-5-13-25-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2
InChIKeyNNTSLJOYGFMJSJ-UHFFFAOYSA-N
XLogP3.67
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870833
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024882
[(1S,2R)-2-aminocyclopentyl]-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124699474
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
(2-fluorophenyl)-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110235442

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 86888454) is 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(C(c1ccccc1)N1CCCC1)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is NNTSLJOYGFMJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(21(28-14-6-7-15-28)18-8-2-1-3-9-18)29-16-11-19(12-17-29)23-26-22(27-31-23)20-10-4-5-13-25-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2.
What are the key properties of 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 417.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 86888454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).