N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide

C22H23N3O2 — CID 102524326

IUPACN-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2cc3ccccc3n2CC(=O)N1c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)23-21(27)20-18-13-15-9-7-8-12-17(15)24(18)14-19(26)25(20)16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3,(H,23,27)
InChIKeyJOXNMXLPICPAEN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds2

About N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide

N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide (PubChem CID 102524326) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide
PubChem CID102524326
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2cc3ccccc3n2CC(=O)N1c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)23-21(27)20-18-13-15-9-7-8-12-17(15)24(18)14-19(26)25(20)16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3,(H,23,27)
InChIKeyJOXNMXLPICPAEN-UHFFFAOYSA-N
XLogP3.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide?
The IUPAC name of N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide (CID 102524326) is N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide is CC(C)(C)NC(=O)C1c2cc3ccccc3n2CC(=O)N1c1ccccc1.
What is the InChIKey of N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide?
The InChIKey is JOXNMXLPICPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2,3)23-21(27)20-18-13-15-9-7-8-12-17(15)24(18)14-19(26)25(20)16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3,(H,23,27).
What are the key properties of N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide?
N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide is sourced from PubChem (CID 102524326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).