(3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate

C23H24Cl2N2O4 — CID 152873710

About (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate

(3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate (PubChem CID 152873710) has the molecular formula C23H24Cl2N2O4 and a molecular weight of 463.36 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate
• PubChem CID: 152873710
• Molecular Formula: C23H24Cl2N2O4
• Molecular Weight: 463.36 g/mol
• Exact Mass: 462.11
• IUPAC Name: (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate
• SMILES: O=C1c2ccc(O)cc2CCC1CN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1
• InChI: InChI=1S/C23H24Cl2N2O4/c24-18-9-15(10-19(25)12-18)14-31-23(30)27-7-5-26(6-8-27)13-17-2-1-16-11-20(28)3-4-21(16)22(17)29/h3-4,9-12,17,28H,1-2,5-8,13-14H2
• InChIKey: TZXFNHPFOOVPSX-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.36
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate?

The IUPAC name of (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate (CID 152873710) is (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate.

What is the SMILES notation for (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate?

The canonical SMILES for (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate is O=C1c2ccc(O)cc2CCC1CN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1.

What is the InChIKey of (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate?

The InChIKey is TZXFNHPFOOVPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4/c24-18-9-15(10-19(25)12-18)14-31-23(30)27-7-5-26(6-8-27)13-17-2-1-16-11-20(28)3-4-21(16)22(17)29/h3-4,9-12,17,28H,1-2,5-8,13-14H2.

What are the key properties of (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate?

(3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate has a molecular weight of 463.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dichlorophenyl)methyl 4-[(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 152873710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).