N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide

C14H19N3O — CID 20824949

IUPACN-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1
InChIKeySFFSHOXUMJRJBD-NOZJJQNGSA-N
MW245.33 g/mol
LogP1.37
Rot. Bonds1

About N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide

N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide (PubChem CID 20824949) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide
PubChem CID20824949
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1
InChIKeySFFSHOXUMJRJBD-NOZJJQNGSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide?
The IUPAC name of N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide (CID 20824949) is N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide.
What is the SMILES notation for N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide?
The canonical SMILES for N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide is CC(=O)Nc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2.
What is the InChIKey of N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide?
The InChIKey is SFFSHOXUMJRJBD-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1.
What are the key properties of N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide?
N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]acetamide is sourced from PubChem (CID 20824949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).