4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide

C27H28N4O4 — CID 55929808

About 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 55929808) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
• PubChem CID: 55929808
• Molecular Formula: C27H28N4O4
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.21
• IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
• SMILES: CCOc1ccccc1Oc1ccc(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1
• InChI: InChI=1S/C27H28N4O4/c1-2-33-23-9-5-6-10-24(23)34-25-12-11-19(17-28-25)18-29-27(32)31-15-13-20(14-16-31)26-30-21-7-3-4-8-22(21)35-26/h3-12,17,20H,2,13-16,18H2,1H3,(H,29,32)
• InChIKey: ZNGBGTKPVLQTSJ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide?

The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide (CID 55929808) is 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide?

The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide is CCOc1ccccc1Oc1ccc(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1.

What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide?

The InChIKey is ZNGBGTKPVLQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-2-33-23-9-5-6-10-24(23)34-25-12-11-19(17-28-25)18-29-27(32)31-15-13-20(14-16-31)26-30-21-7-3-4-8-22(21)35-26/h3-12,17,20H,2,13-16,18H2,1H3,(H,29,32).

What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide?

4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 55929808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).