2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide

C26H27N3O3 — CID 50767868

IUPAC2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)C(=O)n2c(cc3ccccc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H27N3O3/c1-26(24(31)27-20-13-6-3-7-14-20)25(32)29-21-15-9-8-12-19(21)16-22(29)23(30)28(26)17-18-10-4-2-5-11-18/h2,4-5,8-12,15-16,20H,3,6-7,13-14,17H2,1H3,(H,27,31)
InChIKeyWNWHVWDCKMNYDM-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.15
Rot. Bonds4

About 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide

2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50767868) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide
PubChem CID50767868
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)C(=O)n2c(cc3ccccc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H27N3O3/c1-26(24(31)27-20-13-6-3-7-14-20)25(32)29-21-15-9-8-12-19(21)16-22(29)23(30)28(26)17-18-10-4-2-5-11-18/h2,4-5,8-12,15-16,20H,3,6-7,13-14,17H2,1H3,(H,27,31)
InChIKeyWNWHVWDCKMNYDM-UHFFFAOYSA-N
XLogP4.15
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739495
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259
N-cycloheptyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273123
(3R)-N-cyclohexyl-2-[(3-methylphenyl)methyl]-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92706490
2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46272991
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide (CID 50767868) is 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCCC2)C(=O)n2c(cc3ccccc32)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is WNWHVWDCKMNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-26(24(31)27-20-13-6-3-7-14-20)25(32)29-21-15-9-8-12-19(21)16-22(29)23(30)28(26)17-18-10-4-2-5-11-18/h2,4-5,8-12,15-16,20H,3,6-7,13-14,17H2,1H3,(H,27,31).
What are the key properties of 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide?
2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-cyclohexyl-3-methyl-1,4-dioxopyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50767868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).