N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C25H38N4O2 — CID 42293272

About N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42293272) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 42293272
• Molecular Formula: C25H38N4O2
• Molecular Weight: 426.61 g/mol
• Exact Mass: 426.30
• IUPAC Name: N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: O=C1CCCCN1CC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1
• InChI: InChI=1S/C25H38N4O2/c30-24-12-4-5-14-28(24)20-25(31)29(17-21-8-6-13-26-16-21)19-22-9-7-15-27(18-22)23-10-2-1-3-11-23/h6,8,13,16,22-23H,1-5,7,9-12,14-15,17-20H2/t22-/m0/s1
• InChIKey: QKXARWMHHYCQTK-QFIPXVFZSA-N
• XLogP: 3.47
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.61
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 42293272) is N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C1CCCCN1CC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1.

What is the InChIKey of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is QKXARWMHHYCQTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H38N4O2/c30-24-12-4-5-14-28(24)20-25(31)29(17-21-8-6-13-26-16-21)19-22-9-7-15-27(18-22)23-10-2-1-3-11-23/h6,8,13,16,22-23H,1-5,7,9-12,14-15,17-20H2/t22-/m0/s1.

What are the key properties of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?

N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 426.61 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42293272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).