[1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C33H37N3O2 — CID 20624866

About [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 20624866) has the molecular formula C33H37N3O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 20624866
• Molecular Formula: C33H37N3O2
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.29
• IUPAC Name: [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CC(c1cccc2ccccc12)N(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
• InChI: InChI=1S/C33H37N3O2/c1-25(29-17-10-14-26-13-6-7-15-30(26)29)35(2)23-24-36-21-19-28(20-22-36)38-33(37)34-32-18-9-8-16-31(32)27-11-4-3-5-12-27/h3-18,25,28H,19-24H2,1-2H3,(H,34,37)
• InChIKey: NNHNZXAWNBKKAH-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 20624866) is [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CC(c1cccc2ccccc12)N(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.

What is the InChIKey of [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is NNHNZXAWNBKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O2/c1-25(29-17-10-14-26-13-6-7-15-30(26)29)35(2)23-24-36-21-19-28(20-22-36)38-33(37)34-32-18-9-8-16-31(32)27-11-4-3-5-12-27/h3-18,25,28H,19-24H2,1-2H3,(H,34,37).

What are the key properties of [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 507.68 g/mol, XLogP of 7.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 20624866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).