N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide

C33H46N4O5 — CID 176578377

About N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide

N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide (PubChem CID 176578377) has the molecular formula C33H46N4O5 and a molecular weight of 578.75 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide
• PubChem CID: 176578377
• Molecular Formula: C33H46N4O5
• Molecular Weight: 578.75 g/mol
• Exact Mass: 578.35
• IUPAC Name: N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide
• SMILES: CCOc1cc(OC)ncc1CNCC(=O)N1CCCC(c2cccc(C(=O)NC(C(=O)CC)C3CCCCC3)c2)C1
• InChI: InChI=1S/C33H46N4O5/c1-4-28(38)32(23-11-7-6-8-12-23)36-33(40)25-14-9-13-24(17-25)26-15-10-16-37(22-26)31(39)21-34-19-27-20-35-30(41-3)18-29(27)42-5-2/h9,13-14,17-18,20,23,26,32,34H,4-8,10-12,15-16,19,21-22H2,1-3H3,(H,36,40)
• InChIKey: GPJZQVDBOOYPAM-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.75
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide?

The IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide (CID 176578377) is N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide.

What is the SMILES notation for N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide?

The canonical SMILES for N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide is CCOc1cc(OC)ncc1CNCC(=O)N1CCCC(c2cccc(C(=O)NC(C(=O)CC)C3CCCCC3)c2)C1.

What is the InChIKey of N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide?

The InChIKey is GPJZQVDBOOYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O5/c1-4-28(38)32(23-11-7-6-8-12-23)36-33(40)25-14-9-13-24(17-25)26-15-10-16-37(22-26)31(39)21-34-19-27-20-35-30(41-3)18-29(27)42-5-2/h9,13-14,17-18,20,23,26,32,34H,4-8,10-12,15-16,19,21-22H2,1-3H3,(H,36,40).

What are the key properties of N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide?

N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide has a molecular weight of 578.75 g/mol, XLogP of 4.64, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 176578377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).