8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione

C32H30N2O2 — CID 171398403

IUPAC8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione
SMILESO=C1C(Cc2cccc3ccccc23)CC(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC12
InChIInChI=1S/C32H30N2O2/c35-31-20-28(19-27-11-6-10-26-9-4-5-12-29(26)27)32(36)30-22-33(17-18-34(30)31)21-23-13-15-25(16-14-23)24-7-2-1-3-8-24/h1-16,28,30H,17-22H2
InChIKeyFOPRKAJUOINFJS-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.35
Rot. Bonds5

About 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione

8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione (PubChem CID 171398403) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione
PubChem CID171398403
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione
SMILESO=C1C(Cc2cccc3ccccc23)CC(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC12
InChIInChI=1S/C32H30N2O2/c35-31-20-28(19-27-11-6-10-26-9-4-5-12-29(26)27)32(36)30-22-33(17-18-34(30)31)21-23-13-15-25(16-14-23)24-7-2-1-3-8-24/h1-16,28,30H,17-22H2
InChIKeyFOPRKAJUOINFJS-UHFFFAOYSA-N
XLogP5.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398177
2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398402
2-[(4-phenylphenyl)methyl]-8-(quinolin-7-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398478
8-[(4-phenylphenyl)methyl]-2-(pyridin-3-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 162525205
8-[(1-benzylindol-3-yl)methyl]-3,3-dimethyl-2-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4-dione
CID 166590436
3-benzyl-2-(cyclohexylmethyl)-8-(naphthalen-1-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398229
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one
CID 78296031
(7S,9aR)-7-benzyl-2-[(4-chlorophenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860524
7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 23121897

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione (CID 171398403) is 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione is O=C1C(Cc2cccc3ccccc23)CC(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC12.
What is the InChIKey of 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione?
The InChIKey is FOPRKAJUOINFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c35-31-20-28(19-27-11-6-10-26-9-4-5-12-29(26)27)32(36)30-22-33(17-18-34(30)31)21-23-13-15-25(16-14-23)24-7-2-1-3-8-24/h1-16,28,30H,17-22H2.
What are the key properties of 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione?
8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione has a molecular weight of 474.60 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 171398403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).