(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C22H30N4O3 — CID 92886540

IUPAC(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H30N4O3/c1-3-29-14-8-13-26-20(27)19-24-17-11-6-7-12-18(17)25(19)15-22(26,2)21(28)23-16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,23,28)/t22-/m1/s1
InChIKeySVYQBXVJBAVQKB-JOCHJYFZSA-N
MW398.51 g/mol
LogP2.74
Rot. Bonds7

About (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92886540) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID92886540
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H30N4O3/c1-3-29-14-8-13-26-20(27)19-24-17-11-6-7-12-18(17)25(19)15-22(26,2)21(28)23-16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,23,28)/t22-/m1/s1
InChIKeySVYQBXVJBAVQKB-JOCHJYFZSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755
N-(2,3-dimethylcyclohexyl)-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757219
N-cyclopentyl-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757161
2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553624
N-cyclopentyl-2-[2-(dimethylamino)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274140
(3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92886543
(3R)-N-cycloheptyl-2-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 98664793
(3R)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740425
2-[(2-bromophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757064
N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274165
(3S)-N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740841
(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740488

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 92886540) is (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is SVYQBXVJBAVQKB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-29-14-8-13-26-20(27)19-24-17-11-6-7-12-18(17)25(19)15-22(26,2)21(28)23-16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,23,28)/t22-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92886540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).