chempirical

Piboserod

C22H31N3O2CAS 152811-62-6369.51 g/mol

Open in Covalent MOL file
NNHONO
AmideEtherTertiary amine

Properties

Molecular formula
C22H31N3O2
Molar mass
369.51 g/mol
Exact mass
369.2416 Da
logP
3.67Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
152811-62-6
SMILES
CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1
InChIKey
KVCSJPATKXABRQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2H-[1,3]Oxazino[3,2-a]indole-10-carboxamide, N-[(1-butyl-4-piperidinyl)methyl]-3,4-dihydro-
  • N-[(1-Butyl-4-piperidinyl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
  • SB 207266

Work with Piboserod

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pravadoline92623-83-135 % similar Red I 6B50292-95-031 % similar Dyclonine586-60-731 % similar 1-Butyl-2-methyl-1H-indole42951-35-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook