[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C31H37ClN4O2 — CID 20624887

About [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 20624887) has the molecular formula C31H37ClN4O2 and a molecular weight of 533.12 g/mol. Its IUPAC name is [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 20624887
• Molecular Formula: C31H37ClN4O2
• Molecular Weight: 533.12 g/mol
• Exact Mass: 532.26
• IUPAC Name: [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)CC1
• InChI: InChI=1S/C31H37ClN4O2/c32-26-10-6-11-27(24-26)36-22-20-35(21-23-36)17-7-16-34-18-14-28(15-19-34)38-31(37)33-30-13-5-4-12-29(30)25-8-2-1-3-9-25/h1-6,8-13,24,28H,7,14-23H2,(H,33,37)
• InChIKey: ZEJVUEXMWLVNFA-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.12
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 20624887) is [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)CC1.

What is the InChIKey of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is ZEJVUEXMWLVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O2/c32-26-10-6-11-27(24-26)36-22-20-35(21-23-36)17-7-16-34-18-14-28(15-19-34)38-31(37)33-30-13-5-4-12-29(30)25-8-2-1-3-9-25/h1-6,8-13,24,28H,7,14-23H2,(H,33,37).

What are the key properties of [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 533.12 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 20624887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).