oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

C22H25N3O2 — CID 134077664

IUPACoxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2/c26-21(17-7-13-27-15-17)24-11-8-22(9-12-24)16-25(18-4-3-10-23-14-18)20-6-2-1-5-19(20)22/h1-6,10,14,17H,7-9,11-13,15-16H2
InChIKeyJXNAFRFDRIDPIH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.13
Rot. Bonds2

About oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 134077664) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
PubChem CID134077664
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Nameoxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2/c26-21(17-7-13-27-15-17)24-11-8-22(9-12-24)16-25(18-4-3-10-23-14-18)20-6-2-1-5-19(20)22/h1-6,10,14,17H,7-9,11-13,15-16H2
InChIKeyJXNAFRFDRIDPIH-UHFFFAOYSA-N
XLogP3.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (CID 134077664) is oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is O=C(C1CCOC1)N1CCC2(CC1)CN(c1cccnc1)c1ccccc12.
What is the InChIKey of oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is JXNAFRFDRIDPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(17-7-13-27-15-17)24-11-8-22(9-12-24)16-25(18-4-3-10-23-14-18)20-6-2-1-5-19(20)22/h1-6,10,14,17H,7-9,11-13,15-16H2.
What are the key properties of oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 134077664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).