(3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C28H33N3O2 — CID 92592155

About (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92592155) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92592155
• Molecular Formula: C28H33N3O2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.26
• IUPAC Name: (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccc(OC)c2)C1
• InChI: InChI=1S/C28H33N3O2/c1-3-30-27(32)28(18-23-10-4-5-13-26(23)24-11-7-15-29-19-24)14-8-16-31(21-28)20-22-9-6-12-25(17-22)33-2/h4-7,9-13,15,17,19H,3,8,14,16,18,20-21H2,1-2H3,(H,30,32)/t28-/m1/s1
• InChIKey: GBSXVOAPAHDIBB-MUUNZHRXSA-N
• XLogP: 4.72
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92592155) is (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccc(OC)c2)C1.

What is the InChIKey of (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is GBSXVOAPAHDIBB-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-3-30-27(32)28(18-23-10-4-5-13-26(23)24-11-7-15-29-19-24)14-8-16-31(21-28)20-22-9-6-12-25(17-22)33-2/h4-7,9-13,15,17,19H,3,8,14,16,18,20-21H2,1-2H3,(H,30,32)/t28-/m1/s1.

What are the key properties of (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92592155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).