4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione

C25H24N2O3 — CID 54410983

IUPAC4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
SMILESCc1cc(N2C(=O)CN(Cc3ccccc3)CC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-19-14-22(12-13-23(19)30-18-21-10-6-3-7-11-21)27-24(28)16-26(17-25(27)29)15-20-8-4-2-5-9-20/h2-14H,15-18H2,1H3
InChIKeyVUCYYKAKQHLKHY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.95
Rot. Bonds6

About 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione

4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione (PubChem CID 54410983) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
PubChem CID54410983
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
SMILESCc1cc(N2C(=O)CN(Cc3ccccc3)CC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-19-14-22(12-13-23(19)30-18-21-10-6-3-7-11-21)27-24(28)16-26(17-25(27)29)15-20-8-4-2-5-9-20/h2-14H,15-18H2,1H3
InChIKeyVUCYYKAKQHLKHY-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 139679454
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione?
The IUPAC name of 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione (CID 54410983) is 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione?
The canonical SMILES for 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione is Cc1cc(N2C(=O)CN(Cc3ccccc3)CC2=O)ccc1OCc1ccccc1.
What is the InChIKey of 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione?
The InChIKey is VUCYYKAKQHLKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-19-14-22(12-13-23(19)30-18-21-10-6-3-7-11-21)27-24(28)16-26(17-25(27)29)15-20-8-4-2-5-9-20/h2-14H,15-18H2,1H3.
What are the key properties of 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione?
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione has a molecular weight of 400.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione is sourced from PubChem (CID 54410983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).