carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium

C23H25Cl2N2O2Pr2-3 — CID 166534504

About carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium

carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium (PubChem CID 166534504) has the molecular formula C23H25Cl2N2O2Pr2-3 and a molecular weight of 714.19 g/mol. Its IUPAC name is carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium.

Molecular Properties

• Compound Name: carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium
• PubChem CID: 166534504
• Molecular Formula: C23H25Cl2N2O2Pr2-3
• Molecular Weight: 714.19 g/mol
• Exact Mass: 712.95
• IUPAC Name: carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium
• SMILES: O=C(O)C1CCN(Cc2[c-]cc(C3CN(c4c(Cl)cccc4Cl)C3)c[c-]2)CC1.[CH3-].[Pr].[Pr]
• InChI: InChI=1S/C22H22Cl2N2O2.CH3.2Pr/c23-19-2-1-3-20(24)21(19)26-13-18(14-26)16-6-4-15(5-7-16)12-25-10-8-17(9-11-25)22(27)28;;;/h1-3,6-7,17-18H,8-14H2,(H,27,28);1H3;;/q-2;-1
• InChIKey: ZBVKEQVSQAZPSK-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	714.19
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium?

The IUPAC name of carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium (CID 166534504) is carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium.

What is the SMILES notation for carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium?

The canonical SMILES for carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium is O=C(O)C1CCN(Cc2[c-]cc(C3CN(c4c(Cl)cccc4Cl)C3)c[c-]2)CC1.[CH3-].[Pr].[Pr].

What is the InChIKey of carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium?

The InChIKey is ZBVKEQVSQAZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2.CH3.2Pr/c23-19-2-1-3-20(24)21(19)26-13-18(14-26)16-6-4-15(5-7-16)12-25-10-8-17(9-11-25)22(27)28;;;/h1-3,6-7,17-18H,8-14H2,(H,27,28);1H3;;/q-2;-1;;.

What are the key properties of carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium?

carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium has a molecular weight of 714.19 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium is sourced from PubChem (CID 166534504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).