1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

C29H32N2O7 — CID 57393526

IUPAC1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C27H30N2O3.C2H2O4/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,24H,16-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyRSSNMZIACDGNCO-UHFFFAOYSA-N
MW520.58 g/mol
LogP3.29
Rot. Bonds6

About 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid (PubChem CID 57393526) has the molecular formula C29H32N2O7 and a molecular weight of 520.58 g/mol. Its IUPAC name is 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
PubChem CID57393526
Molecular FormulaC29H32N2O7
Molecular Weight520.58 g/mol
Exact Mass520.22
IUPAC Name1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C27H30N2O3.C2H2O4/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,24H,16-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyRSSNMZIACDGNCO-UHFFFAOYSA-N
XLogP3.29
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The IUPAC name of 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid (CID 57393526) is 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.
What is the SMILES notation for 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The canonical SMILES for 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid is COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The InChIKey is RSSNMZIACDGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3.C2H2O4/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,24H,16-21H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid has a molecular weight of 520.58 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid is sourced from PubChem (CID 57393526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).