N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide

C18H25N3O — CID 45269177

IUPACN-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c2n(c3ccccc13)CCN(C)C2
InChIInChI=1S/C18H25N3O/c1-3-6-18(22)19-10-9-15-14-7-4-5-8-16(14)21-12-11-20(2)13-17(15)21/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,22)
InChIKeyLIYWRBNVQUGPBF-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide

N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide (PubChem CID 45269177) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide
PubChem CID45269177
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c2n(c3ccccc13)CCN(C)C2
InChIInChI=1S/C18H25N3O/c1-3-6-18(22)19-10-9-15-14-7-4-5-8-16(14)21-12-11-20(2)13-17(15)21/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,22)
InChIKeyLIYWRBNVQUGPBF-UHFFFAOYSA-N
XLogP2.55
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide?
The IUPAC name of N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide (CID 45269177) is N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide is CCCC(=O)NCCc1c2n(c3ccccc13)CCN(C)C2.
What is the InChIKey of N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide?
The InChIKey is LIYWRBNVQUGPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-6-18(22)19-10-9-15-14-7-4-5-8-16(14)21-12-11-20(2)13-17(15)21/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide?
N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide has a molecular weight of 299.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide is sourced from PubChem (CID 45269177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).