1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

C25H27N5O5 — CID 68689142

IUPAC1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(c1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1)N1CCOCC1
InChIInChI=1S/C25H27N5O5/c31-22(17-34-19-6-2-1-3-7-19)30-11-5-4-8-21(30)24-27-23(28-35-24)18-9-10-26-20(16-18)25(32)29-12-14-33-15-13-29/h1-3,6-7,9-10,16,21H,4-5,8,11-15,17H2/t21-/m1/s1
InChIKeyKNINIBIMMPVUQN-OAQYLSRUSA-N
MW477.52 g/mol
LogP2.74
Rot. Bonds6

About 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68689142) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68689142
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(c1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1)N1CCOCC1
InChIInChI=1S/C25H27N5O5/c31-22(17-34-19-6-2-1-3-7-19)30-11-5-4-8-21(30)24-27-23(28-35-24)18-9-10-26-20(16-18)25(32)29-12-14-33-15-13-29/h1-3,6-7,9-10,16,21H,4-5,8,11-15,17H2/t21-/m1/s1
InChIKeyKNINIBIMMPVUQN-OAQYLSRUSA-N
XLogP2.74
TPSA110.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68689142) is 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(c1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is KNINIBIMMPVUQN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N5O5/c31-22(17-34-19-6-2-1-3-7-19)30-11-5-4-8-21(30)24-27-23(28-35-24)18-9-10-26-20(16-18)25(32)29-12-14-33-15-13-29/h1-3,6-7,9-10,16,21H,4-5,8,11-15,17H2/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 477.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68689142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).