2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C27H37N3O2 — CID 110228666

About 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 110228666) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
• PubChem CID: 110228666
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
• SMILES: COc1c(C)cccc1CN1CCC(C(NC(=O)CC2CCCC2)c2ccccn2)CC1
• InChI: InChI=1S/C27H37N3O2/c1-20-8-7-11-23(27(20)32-2)19-30-16-13-22(14-17-30)26(24-12-5-6-15-28-24)29-25(31)18-21-9-3-4-10-21/h5-8,11-12,15,21-22,26H,3-4,9-10,13-14,16-19H2,1-2H3,(H,29,31)
• InChIKey: YMIGXUQRSPBLFJ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 110228666) is 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COc1c(C)cccc1CN1CCC(C(NC(=O)CC2CCCC2)c2ccccn2)CC1.

What is the InChIKey of 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?

The InChIKey is YMIGXUQRSPBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-20-8-7-11-23(27(20)32-2)19-30-16-13-22(14-17-30)26(24-12-5-6-15-28-24)29-25(31)18-21-9-3-4-10-21/h5-8,11-12,15,21-22,26H,3-4,9-10,13-14,16-19H2,1-2H3,(H,29,31).

What are the key properties of 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?

2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 435.61 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 110228666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).