3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C32H37N3O2 — CID 171398229

IUPAC3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C(Cc2ccccc2)N(CC2CCCCC2)C(=O)C2CN(Cc3cccc4ccccc34)CCN12
InChIInChI=1S/C32H37N3O2/c36-31-29(20-24-10-3-1-4-11-24)35(21-25-12-5-2-6-13-25)32(37)30-23-33(18-19-34(30)31)22-27-16-9-15-26-14-7-8-17-28(26)27/h1,3-4,7-11,14-17,25,29-30H,2,5-6,12-13,18-23H2
InChIKeyIMJQFLRZJUNMEM-UHFFFAOYSA-N
MW495.67 g/mol
LogP4.89
Rot. Bonds6

About 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398229) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID171398229
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C(Cc2ccccc2)N(CC2CCCCC2)C(=O)C2CN(Cc3cccc4ccccc34)CCN12
InChIInChI=1S/C32H37N3O2/c36-31-29(20-24-10-3-1-4-11-24)35(21-25-12-5-2-6-13-25)32(37)30-23-33(18-19-34(30)31)22-27-16-9-15-26-14-7-8-17-28(26)27/h1,3-4,7-11,14-17,25,29-30H,2,5-6,12-13,18-23H2
InChIKeyIMJQFLRZJUNMEM-UHFFFAOYSA-N
XLogP4.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
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CID 171398403
(7S,9aR)-7-benzyl-2-[(3,4-dimethylphenyl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398229) is 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1C(Cc2ccccc2)N(CC2CCCCC2)C(=O)C2CN(Cc3cccc4ccccc34)CCN12.
What is the InChIKey of 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is IMJQFLRZJUNMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c36-31-29(20-24-10-3-1-4-11-24)35(21-25-12-5-2-6-13-25)32(37)30-23-33(18-19-34(30)31)22-27-16-9-15-26-14-7-8-17-28(26)27/h1,3-4,7-11,14-17,25,29-30H,2,5-6,12-13,18-23H2.
What are the key properties of 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 495.67 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).