(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one

C20H18N4O2 — CID 95707316

IUPAC(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C20H18N4O2/c25-18-20(15-9-4-5-10-16(15)21-18)11-6-12-24(13-20)19-22-17(26-23-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,21,25)/t20-/m0/s1
InChIKeyVPEPDPLABBEAGC-FQEVSTJZSA-N
MW346.39 g/mol
LogP3.23
Rot. Bonds2

About (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one

(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95707316) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95707316
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C20H18N4O2/c25-18-20(15-9-4-5-10-16(15)21-18)11-6-12-24(13-20)19-22-17(26-23-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,21,25)/t20-/m0/s1
InChIKeyVPEPDPLABBEAGC-FQEVSTJZSA-N
XLogP3.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 95707316) is (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one is O=C1Nc2ccccc2[C@@]12CCCN(c1noc(-c3ccccc3)n1)C2.
What is the InChIKey of (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is VPEPDPLABBEAGC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-18-20(15-9-4-5-10-16(15)21-18)11-6-12-24(13-20)19-22-17(26-23-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,21,25)/t20-/m0/s1.
What are the key properties of (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95707316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).